Basic information
- CAS
40443-03-6- Standard SMILES
O=C(O)CC=C1c2ccccc2CCc2ccccc21- InChIKey
PZVBWDPQGLSYGO-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- Propanoic acid, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-
- IUPAC
- 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propanoic acid
Names & synonyms
BRN 246290040443-03-6Propanoic acid, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)propionic acidRefChem:3747983-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylidene)propanoic acidDTXSID00960837PZVBWDPQGLSYGO-UHFFFAOYSA-N3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propanoic acid #Propanoic acid, 3-(1,2:4,5-dibenzo-1,4-cycloheptadien-11-ylidene)-
Database identifiers
- CAS
40443-03-6- PubChem CID
- 218299
- DTXSID
DTXSID00960837
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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