Basic information
- CAS
61198-52-5- Standard SMILES
O=C1C[C@@H](c2ccccc2)c2ccccc2O1- InChIKey
LSVVKHXECFZKFD-ZDUSSCGKSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- (S)-4-Phenylchroman-2-one
- IUPAC
- (4S)-4-phenyl-3,4-dihydrochromen-2-one
- English name
- (S)-3,4-Dihydro-4-phenyl-2H-1-benzopyran-2-one
- Molecular formula
- C15H12O2
- Molecular weight
- 224.26
Names & synonyms
61198-52-5(S)-4-Phenylchroman-2-one(4S)-4-Phenyl-3,4-dihydrochromen-2-one(4S)-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one(S)-4-Phenyl-chroman-2-oneSCHEMBL14852665DTXSID004818103,4-dihydro-4-phenyl-2H-1-benzopyran-2-one(S)-3,4-Dihydro-4-phenyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 3,4-dihydro-4-phenyl-, (4S)-
Database identifiers
- CAS
61198-52-5- PubChem CID
- 12237456
- DTXSID
DTXSID00481810- Nikkaji
- J1.265.472C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Boiling point
- 334.7 · 334.7±32.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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