2,2'-(6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5,6-diyl)diacetic acid
Basic information
- CAS
7475-51-6- Standard SMILES
O=C(O)CC1CCCc2ccccc2C1CC(=O)O- InChIKey
ZNRBFWUXNNLWLH-UHFFFAOYSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- 2,2'-(6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5,6-diyl)diacetic acid
- IUPAC
- 2-[5-(carboxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
Names & synonyms
7475-51-6NSC401505DTXSID803225502,2'-(6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5,6-diyl)diacetic acidNSC-401505
Database identifiers
- CAS
7475-51-6- PubChem CID
- 344541
- DTXSID
DTXSID80322550
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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