2-Formyl-6-methoxybenzoic acid
Basic information
- CAS
53015-08-0- Standard SMILES
COc1cccc(C=O)c1C(=O)O- InChIKey
CFKGGYABZGKDEO-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- 2-Formyl-6-methoxybenzoic acid
- IUPAC
- 2-formyl-6-methoxybenzoic acid
- English name
- 2-Formyl-6-methoxybenzoic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.16
Names & synonyms
2-formyl-6-methoxybenzoic acid53015-08-0MFCD040374492-formyl-6-methoxy-benzoic acid6-methoxyphthalaldehydic acidAP-065/418841342-formyl-6-methoxybenzoicacidSCHEMBL11739432SCHEMBL29957098DTXSID00399284CFKGGYABZGKDEO-UHFFFAOYSA-NSBB089637
Show more names
Benzoic acid, 2-formyl-6-methoxy-
AKOS006277015AB15372AS-44601CS-0141829F621697
Database identifiers
- CAS
53015-08-0- PubChem CID
- 4097567
- DTXSID
DTXSID00399284- Nikkaji
- J2.287.149H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 352.5 · 352.5±27.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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