Basic information
- CAS
4315-35-9- Standard SMILES
O=C(O)C1=CCC=CC1- InChIKey
XCSQXCKDEVRTHN-UHFFFAOYSA-N- Molecular formula
- C7H8O2
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.0524295
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1-carboxylic acid
- IUPAC
- cyclohexa-1,4-diene-1-carboxylic acid
- English name
- cyclohexa-1,4-diene-1-carboxylic acid
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
Names & synonyms
1,4-Cyclohexadiene-1-carboxylic acid4315-35-9DTXSID70304901RefChem:1053232DTXCID70256032cyclohexa-1,4-diene-1-carboxylic acidCyclohexa-1,4-dienecarboxylic acidNSC1680282,5-dihydrobenzoic acidSCHEMBL1046193SCHEMBL6973635AKOS006378585
Show more names
NSC-1680281,4-Cyclohexadiene-1-carboxylic acid #
Database identifiers
- CAS
4315-35-9- PubChem CID
- 297211
- DTXSID
DTXSID70304901- Nikkaji
- J80.795H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
Related reactions
2 records
Compound notes
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