Basic information
- CAS
7598-04-1- Standard SMILES
O=C(O)CCC1(c2ccccc2)CCCCC1- InChIKey
VEXWNPRZTYRANF-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- 3-(1-Phenylcyclohexyl)propanoic acid
- IUPAC
- 3-(1-phenylcyclohexyl)propanoic acid
- English name
- 3-(1-Phenylcyclohexyl)propanoic acid
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
3-(1-phenylcyclohexyl)propanoic acid7598-04-1DTXSID90322182RefChem:273257DTXCID30273301MFCD21607388NSC400644SCHEMBL436643VEXWNPRZTYRANF-UHFFFAOYSA-N3-(1-phenylcyclohexyl)propanoicacid3-phenyl-3-cyclohexanepropanoic acidCyclohexanepropanoic acid, 1-phenyl-
Show more names
3-(1-phenylcyclohexyl) propanoic acidAKOS027338900NSC-400644AS-36482F302396
Database identifiers
- CAS
7598-04-1- PubChem CID
- 343985
- DTXSID
DTXSID90322182
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 99.5 · 99.5-100.5 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 386 · 386.0±11.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
7 records
Compound notes
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