Basic information
- CAS
6301-40-2- Standard SMILES
CC(=O)Oc1c(C(=O)O)ccc2ccccc12- InChIKey
OTXGVXYCMIJUGJ-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Overview
See also: 1-(acetyloxy)-2-Naphthalenecarboxylic acid (annotation moved to).
Names & identifiers
- Preferred name
- 1-(Acetyloxy)naphthalene-2-carboxylic acid
- IUPAC
- 1-acetyloxynaphthalene-2-carboxylic acid
- English name
- 1-acetyloxynaphthalene-2-carboxylic acid
- Molecular formula
- C13H10O4
- Molecular weight
- 230.22
Names & synonyms
6301-40-21-(acetyloxy)naphthalene-2-carboxylic acidNSC49100SCHEMBL27615761-(acetyloxy)-2-naphthoic acidDTXSID90978901NSC43876NSC-43876NSC-491001-Acetyloxy-2-naphthoic acid1-acetyloxynaphthalene-2-carboxylic acid2-Naphthalenecarboxylic acid, 1-(acetyloxy)-
Database identifiers
- CAS
6301-40-2- PubChem CID
- 239088
- DTXSID
DTXSID90978901- Nikkaji
- J308.071D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…