3-benzyl-6,7-dihydroxy-4-methyl-2H-chromen-2-one

HCID 16394697

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Basic information

CAS: 23368-41-4
Standard SMILES: Cc1c(Cc2ccccc2)c(=O)oc2cc(O)c(O)cc12
InChIKey: KGSBZRWRGBQMJK-UHFFFAOYSA-N
Molecular formula: C17H14O4
Average molar mass: 282.29 g/mol
Monoisotopic mass: 282.08920892

Names & identifiers

Preferred name: 3-benzyl-6,7-dihydroxy-4-methyl-2H-chromen-2-one
IUPAC: 3-benzyl-6,7-dihydroxy-4-methylchromen-2-one
English name: 3-Benzyl-6,7-dihydroxy-4-methyl-2H-chromen-2-one
Molecular formula: C17H14O4
Molecular weight: 282.29

Names & synonyms

3-benzyl-6,7-dihydroxy-4-methyl-2H-chromen-2-one23368-41-43-benzyl-6,7-dihydroxy-4-methylchromen-2-oneMFCD087418382H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-3-(phenylmethyl)-SCHEMBL7797770DTXSID40585886KGSBZRWRGBQMJK-UHFFFAOYSA-NALBB-015582STK991559AKOS004938509NS-04649

Show more names

BB_NC-18393-(benzyl)-6,7-dihydroxy-4-methyl-coumarin6,7-dihydroxy-4-methyl-3-(phenylmethyl)chromen-2-one6,7-dihydroxy-4-methyl-3-(phenylmethyl)-2-chromenone6,7-dihydroxy-4-methyl-3-(phenylmethyl)-2-cChemicalbookhromenone

6,7-dihydroxy-3-benzyl-4-methyl CoumarinEN300-302894H311993-benzyl-6,7-dihydroxy-4-methyl-chromen-2-one3-Benzyl-6,7-dihydroxy-4-methyl-2H-1-benzopyran-2-one

Database identifiers

CAS: 23368-41-4
PubChem CID: 16394697
DTXSID: DTXSID40585886

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 436

Physicochemical properties

HazardClass: IRRITANT

Safety & regulation

Safety data

hazard_class: IRRITANT

Chemistry & industry

Suppliers1 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

2 records

New reaction record

HRID 613211As productuspto-grants-1999_12

HRID 1595135As productuspto-grants-2001_09

Compound notes

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