4-[8-(Carboxymethyl)-6,7-dihydro-5H-benzo[7]annulen-9-yl]butanoic acid
Basic information
- CAS
7478-66-2- Standard SMILES
O=C(O)CCCC1=C(CC(=O)O)CCCc2ccccc21- InChIKey
ZMVDXNAQEKGRBY-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- 4-[8-(Carboxymethyl)-6,7-dihydro-5H-benzo[7]annulen-9-yl]butanoic acid
- IUPAC
- 4-[6-(carboxymethyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]butanoic acid
Names & synonyms
7478-66-2NSC401516DTXSID003225574-[8-(Carboxymethyl)-6,7-dihydro-5H-benzo[7]annulen-9-yl]butanoic acidNSC-401516
Database identifiers
- CAS
7478-66-2- PubChem CID
- 344552
- DTXSID
DTXSID00322557
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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