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Home> Hot Product Listed Z   > ZINC49405518
3122-87-0 structure

ZINC49405518

Iupac Name:5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one
CAS No.:3122-87-0
Molecular Weight:312.321
Molecular Formula:C17H27N3OS (isomer)
Names and Identifiers
Synonyms

AKOS024485290 F3406-7552 MCULE-9469589039 MOLPORT-009-716-440 n-(5-chloro-2,4-dimethoxyphenyl)-2-((5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)acetamide VU0624499-1

Inchi
InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3
InChkey
QJSQOGJCHBXLAH-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)O)O
Properties
Refractive Index
1.644
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:312.321g/mol
  • Molecular Formula:C17H27N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:312.1
  • Monoisotopic Mass:312.1
  • Complexity:480
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCI AqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7OzOIAACCAAIAABAAAQQABAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+86-21-51320588 ext. 8025
  • Fax:
  • Tel:+86-0311-66562153
  • Fax:
  • Tel:+86-871-65217109
  • Fax:
  • Tel:+44 (0)208 191 7890
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  • Tel:+86-871-5217109
  • Fax:+86-871-5217109
 
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