3-(2-Hydroxy-4-methylphenyl)pentanedioic acid
Basic information
- CAS
13443-37-3- Standard SMILES
Cc1ccc(C(CC(=O)O)CC(=O)O)c(O)c1- InChIKey
WFHLAZJNFKHPCV-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- 3-(2-Hydroxy-4-methylphenyl)pentanedioic acid
- IUPAC
- 3-(2-hydroxy-4-methylphenyl)pentanedioic acid
Names & synonyms
3-(2-hydroxy-4-methylphenyl)pentanedioic acid13443-37-3DTXSID70303474RefChem:273710DTXCID40254606NSC158472SCHEMBL10398177NSC-158472EN300-1842526
Database identifiers
- CAS
13443-37-3- PubChem CID
- 292610
- DTXSID
DTXSID70303474
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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