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Home> Encyclopedia > Hot Product Listed 6   > 6H-Benzofuro[3,2-c][1]benzopyran-6-one,8,9-dihydroxy-1-methyl-
71989-16-7 structure

6H-Benzofuro[3,2-c][1]benzopyran-6-one,8,9-dihydroxy-1-methyl-

Iupac Name:(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CAS No.:71989-16-7
Molecular Weight:354.362
Molecular Formula:C19H16O4 (isomer)
Names and Identifiers
Synonyms

11,12-dhmc 11,12-dihydroxy-5-methylcoumestan 13,14-dihydroxy-3-methyl-8,17-dioxatetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one 6h-benzofuro(3,2-c)(1)benzopyran-6-one, 8,9-dihydroxy-1-methyl- 8,9-dihydroxy-1-methyl-[1]benzofuro[3,2-c]chromen-6-one 8,9-dihydroxy-1-methyl-6h-benzofuro(3,2-c)(1)benzopyran-6-one 8,9-dihydroxy-1-methylcoumestan AC1MIWA6 DTXSID20151129 LMPK12090038 mutisifurocoumarin PL021511

Inchi
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1
InChkey
YUGBZNJSGOBFOV-INIZCTEOSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)N)C(=O)O
Properties
Density
1.37
Melting Point
180℃
Boiling Point
631.6°C at 760 mmHg
Refractive Index
-13 ° (C=1, DMF)
Alpha
-13 o (C=1,DMF)
HS Code
2924299090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
OTH
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:354.362g/mol
  • Molecular Formula:C19H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:354.122
  • Monoisotopic Mass:354.122
  • Complexity:530
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:119A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:1
  • 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: AAADceB7OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADSjhmAYwCILABgCI AiHSGAACAAAgAAAIiIGIAIkKIDqA0TCMYAAk1gEYiAenwPAOgAAAAAAQAAAAAAAAACAAAQAACAAA AA==
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