Completing data — usually done within a minute
Basic information
- CAS
53181-45-6- Standard SMILES
COc1ccc(C(C(=O)O)C(=O)O)cc1- InChIKey
HKGWZPGNUJEGCT-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)propanedioic acid
- IUPAC
- 2-(4-methoxyphenyl)propanedioic acid
Names & synonyms
53181-45-6(4-Methoxyphenyl)propanedioic acid2-(4-METHOXYPHENYL)PROPANEDIOIC ACIDPropanedioic acid, (4-methoxyphenyl)-4-methoxyphenyl malonic acidSCHEMBL1451206DTXSID90547474HKGWZPGNUJEGCT-UHFFFAOYSA-N
Database identifiers
- CAS
53181-45-6- PubChem CID
- 13716680
- DTXSID
DTXSID90547474- Nikkaji
- J2.998.673H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
1 records
Compound notes
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