6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid
Basic information
- CAS
42842-95-5- Standard SMILES
O=C(O)C1Cc2ccccc2-c2ccccc2C1- InChIKey
WZOCZHONAIWHPW-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid
- IUPAC
- tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-9-carboxylic acid
- English name
- 6,7-Dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
42842-95-56,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acidtricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-9-carboxylic acidMaybridge1_002275Oprea1_410444MLS001181454SCHEMBL2246351CHEMBL1490511HMS547P09DTXSID00384312HMS2878O23CCG-41262
Show more names
5H-Dibenzo[a,c]cycloheptene-6-carboxylic acid, 6,7-dihydro-
SMR000567230DB-010997SR-01000631352-1BRD-K30190766-001-08-56,7-Dihydro-5H-dibenzo[a,c][7]annulene-6-carboxylic acid
Database identifiers
- CAS
42842-95-5- PubChem CID
- 2801701
- DTXSID
DTXSID00384312- ChEMBL
CHEMBL1490511- Nikkaji
- J1.996.413B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 462.4 · 462.4±34.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.45 · 4.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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