Basic information
- CAS
6296-55-5- Standard SMILES
CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1- InChIKey
QWVIHBPMUGBFLE-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- 2-oxo-3-phenyl-2H-chromen-7-yl acetate
- IUPAC
- (2-oxo-3-phenylchromen-7-yl) acetate
- English name
- (2-oxo-3-phenyl-chromen-7-yl) acetate
- Molecular formula
- C17H12O4
- Molecular weight
- 280.27
Names & synonyms
2-oxo-3-phenyl-2H-chromen-7-yl acetate6296-55-5MLS000737819SMR000528174(2-oxo-3-phenylchromen-7-yl) acetateNSC17055(2-oxo-3-phenyl-chromen-7-yl) acetate7-acetoxy-3-phenylcoumarinOprea1_632217MLS001167027CHEMBL1559283SCHEMBL14880118
Show more names
2H-1-Benzopyran-2-one, 7-(acetyloxy)-3-phenyl-
SCHEMBL18259010DTXSID90280470HMS2860N152-oxo-3-phenylchromen-7-yl acetateNSC-17055STL033484AKOS001577900NCGC00317824-01
Database identifiers
- CAS
6296-55-5- PubChem CID
- 226508
- DTXSID
DTXSID90280470- ChEMBL
CHEMBL1559283- Nikkaji
- J2.835.716H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - MISCELLANEOUSHAIR CONDITIONING
- 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
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…