Basic information
- CAS
14002-99-4- Standard SMILES
Cc1cc(C)c2ccc(=O)oc2c1- InChIKey
LSVVSAUXNLDZOX-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 5,7-Dimethylcoumarin
- IUPAC
- 5,7-dimethylchromen-2-one
- English name
- 2H-1-Benzopyran-2-one,5,7-dimethyl-
- Molecular formula
- C11H10O2
- Molecular weight
- 174.1959
Names & synonyms
5,7-Dimethylcoumarin5,7-Dimethyl-2H-1-benzopyran-2-oneII2R3NWK872H-1-Benzopyran-2-one, 5,7-dimethyl-NSC 28554NSC-28554UNII-II2R3NWK87DTXSID50161216COUMARIN, 5,7-DIMETHYL-RefChem:101395DTXCID00837072H-1-Benzopyran-2-one, 5,7-dimethyl-(9CI)
Show more names
5,7-dimethyl-2H-chromen-2-one14002-99-42H-1-Benzopyran-2-one,5,7-dimethyl-NSC285542H-1-Benzopyran-2-one, 5,7-dimethyl- (9CI)SCHEMBL8750160MFCD070827822H-1-Benzopyran-2-one,7-dimethyl-
Database identifiers
- CAS
14002-99-4- PubChem CID
- 95665
- DTXSID
DTXSID50161216- UNII
- II2R3NWK87
- Nikkaji
- J1.118.326C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- FDA UNII
- 2 R3NWK87 · II2R3NWK87
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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