Basic information
- CAS
64267-19-2- Standard SMILES
COc1ccc2cc(C(C)=O)c(=O)oc2c1- InChIKey
HJRFKKRMCGZIOA-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Overview
3-acetyl-7-methoxy-1-benzopyran-2-one is a member of coumarins.
Names & identifiers
- Preferred name
- 3-Acetyl-7-methoxycoumarin
- IUPAC
- 3-acetyl-7-methoxychromen-2-one
- English name
- 3-Acetyl-7-MethoxycouMarin
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
3-acetyl-7-methoxycoumarinRefChem:9111113-acetyl-7-methoxy-2H-chromen-2-one64267-19-23-acetyl-7-methoxychromen-2-one3-acetyl-7-methoxy-2H-1-benzopyran-2-one3-acetyl-7-methoxy-chromen-2-oneMLS0006865673-acetyl-7-methoxy-1-benzopyran-2-oneSMR0002682153-acetyl-7-methoxy-coumarinSCHEMBL1104931
Show more names
2H-1-Benzopyran-2-one, 3-acetyl-7-methoxy-
CHEMBL1411619BDBM74900cid_2054475DTXSID40366036CHEBI:107128HJRFKKRMCGZIOA-UHFFFAOYSA-N3-acetyl-7-methoxy-2-oxochromeneHMS2528C19
Database identifiers
- CAS
64267-19-2- PubChem CID
- 2054475
- DTXSID
DTXSID40366036- ChEMBL
CHEMBL1411619- ChEBI
CHEBI:107128- Nikkaji
- J647.318K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Additional notes
DefinitionChEBI: 3-acetyl-7-methoxy-1-benzopyran-2-one is a member of coumarins.
Related reactions
2 records
Compound notes
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