Benzoic acid, 2-benzoyl-5-ethyl-
Basic information
- CAS
60270-84-0- Standard SMILES
CCc1ccc(C(=O)c2ccccc2)c(C(=O)O)c1- InChIKey
NWPAKHVMGCSGID-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- Benzoic acid, 2-benzoyl-5-ethyl-
- IUPAC
- 2-benzoyl-5-ethylbenzoic acid
- English name
- 2-benzoyl-5-ethyl-benzoic acid
- Molecular formula
- C16H14O3
- Molecular weight
- 0
Names & synonyms
60270-84-0BENZOIC ACID, 2-BENZOYL-5-ETHYL-4-Ethylbenzophenone-2-carboxylic acidBRN 2125547DTXSID50209026RefChem:326827DTXCID701315172-benzoyl-5-ethylbenzoic acidSCHEMBL53109852-BENZOYL-5-ETHYL-BENZOIC ACIDDB-313528
Database identifiers
- CAS
60270-84-0- PubChem CID
- 43246
- DTXSID
DTXSID50209026
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
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Related reactions
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Compound notes
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