Basic information
- CAS
4180-57-8- Standard SMILES
O=C(O)c1ccc(OCC(O)CO)cc1- InChIKey
KHVXZWBZADAAPR-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- 4-(2,3-Dihydroxypropoxy)benzoic acid
- IUPAC
- 4-(2,3-dihydroxypropoxy)benzoic acid
- English name
- 4-(2,3-Dihydroxypropoxy)benzoic acid
- Molecular weight
- 0
Names & synonyms
4-(2,3-dihydroxypropoxy)benzoic acid4180-57-8DTXSID40961989RefChem:1069753DTXCID801389803BRN 2645857p-(2,3-Dihydroxypropoxy)benzoic acid3-(p-Carboxyphenoxy)-1,2-propanediolBENZOIC ACID, p-(2,3-DIHYDROXYPROPOXY)-SCHEMBL24198673
Database identifiers
- CAS
4180-57-8- PubChem CID
- 20148
- DTXSID
DTXSID40961989- Nikkaji
- J42.696B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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