Basic information
- CAS
30497-87-1- Standard SMILES
Cc1ccc(C(=O)O)c(C(=O)O)c1.Cc1cccc(C(=O)O)c1C(=O)O- InChIKey
RNSPXLCTNQGJLD-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Names & identifiers
- Preferred name
- Methylphthalic acid
- IUPAC
- 3-methylphthalic acid;4-methylphthalic acid
Names & synonyms
METHYLPHTHALIC ACID30497-87-11,2-Benzenedicarboxylic acid, methyl-DTXSID409528123-Methylbenzene-1,2-dicarboxylic acid--4-methylbenzene-1,2-dicarboxylic acid (1/1)
Database identifiers
- CAS
30497-87-1- PubChem CID
- 35356
- DTXSID
DTXSID40952812
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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