Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2H-1-Benzopyran-2-one,3-methyl-
566-19-8 structure

2H-1-Benzopyran-2-one,3-methyl-

Iupac Name:(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CAS No.:566-19-8
Molecular Weight:302.414
Molecular Formula:C22H22N4O5 (isomer)
Names and Identifiers
Synonyms

2h-1-benzopyran-2-one, 3-methyl- 2h-1-benzopyran-2-one, 3-methyl- (9ci) 3-methyl-2h-1-benzopyran-2-one 3-methyl-2h-chromen-2-one 3-methyl-2h-chromen-2-one # 3-methyl-chromen-2-one 3-methylchromen-2-one 3-methylcoumarin 3-methylcumarin 9PCU0P29Z3 AC1L29DH acm2445821 AK392372 AKOS006271530 brn 0122776 c-44533 coumarin, 3-methyl- Coumarin,3-methyl- (6CI,7CI,8CI) CTK4F3719 einecs 215-592-8 einecs 219-498-8 fch838734 LS-55252 methylcoumarin NCIOPEN2_000275 nsc 65664 nsc65664 nsc-65664 SCHEMBL30023 UNII-5HV5045SSF COMPONENT VIIIJFZJKFXOGG-UHFFFAOYSA-N unii-9pcu0p29z3 VIIIJFZJKFXOGG-UHFFFAOYSA-N ZINC409720

Inchi
InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m0/s1
InChkey
KPRGOTLNGIBVFL-GINZOMEDSA-N
Canonical Smiles
CC12CCC3C(C1CCC2=O)C(=O)C=C4C3(CCC(C4)O)C
Isomers Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C
Properties
Melting Point
240.0~244.0 oC
Boiling Point
243.8°Cat760mmHg
Refractive Index
1.569
HS Code
2937290090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:302.414g/mol
  • Molecular Formula:C22H22N4O5
  • Compound Is Canonicalized:True
  • Exact Mass:302.188
  • Monoisotopic Mass:302.188
  • Complexity:577
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICAAAAAgCI AqBSAAAAAAAgAAAACAEAAEgAEBIAAQAAQAAEwAAIAQOIyvCvgAAAAAAAAADAAAQAACAAAAAACAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-151-81130205
  • Fax:021-0319-12345
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-151-81130205
  • Fax:021-0319-12345
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
<