Basic information
- CAS
4160-94-5- Standard SMILES
CCCC(CC(=O)O)(CC(=O)O)c1ccccc1- InChIKey
VVYCAUXALDXXBS-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050906
Names & identifiers
- Preferred name
- 3-Phenyl-3-propylglutaric acid
- IUPAC
- 3-phenyl-3-propylpentanedioic acid
- English name
- 3-phenyl-3-propylglutaric acid
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29032
Names & synonyms
3-Phenyl-3-propylglutaric acid3-phenyl-3-propylpentanedioic acid4160-94-5NSC-90794pentanedioic acid, 3-phenyl-3-propyl-NSC90794EINECS 224-001-2X5HV2VC3MCSCHEMBL5159280DTXSID20194430VVYCAUXALDXXBS-UHFFFAOYSA-NNSC 90794
Show more names
AKOS024332303NS00031020
Database identifiers
- CAS
4160-94-5- PubChem CID
- 77816
- DTXSID
DTXSID20194430- UNII
- X5HV2VC3MC
- EC Number
- 224-001-2
- Nikkaji
- J224.963D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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