Basic information
- CAS
63037-96-7- Standard SMILES
O=C(O)COc1cccc2ccc(O)cc12- InChIKey
RXBAGQLTKLRHQK-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- Acetic acid, (7-hydroxy-1-naphthalenyl)oxy-
- IUPAC
- 2-(7-hydroxynaphthalen-1-yl)oxyacetic acid
Names & synonyms
ACETIC ACID, (7-HYDROXY-1-NAPHTHALENYL)OXY-63037-96-7DTXSID80212321[(7-Hydroxynaphthalen-1-yl)oxy]acetic acid
Database identifiers
- CAS
63037-96-7- PubChem CID
- 44338
- DTXSID
DTXSID80212321- Nikkaji
- J1.622.423E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…