3-Hydroxyphenyl propanoate
Basic information
- CAS
7402-17-7- Standard SMILES
CCC(=O)Oc1cccc(O)c1- InChIKey
RXTAZJSIQKRTJQ-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
3-hydroxyphenyl propanoate is a carboxylic ester obtained by formal condensation of the carboxy group of propionic acid with one of the phenol groups of resorcinol. It is a carboxylic ester and a member of phenols. It is functionally related to a resorcinol and a propionic acid.
Names & identifiers
- Preferred name
- 3-Hydroxyphenyl propanoate
- IUPAC
- (3-hydroxyphenyl) propanoate
Names & synonyms
3-hydroxyphenyl propanoate7402-17-7(3-hydroxyphenyl) propanoateresorcinol monopropanoate3-hydroxyphenyl propionateresorcinol monopropionateNSC 55118NSC55118SCHEMBL3905574SCHEMBL4647740SCHEMBL4647741SCHEMBL7930676
Show more names
1,3-Benzenediol, o-propionyl-SCHEMBL29995062CHEBI:65228DTXSID90288259RXTAZJSIQKRTJQ-UHFFFAOYSA-NNSC-55118Q27133762
Database identifiers
- CAS
7402-17-7- PubChem CID
- 244285
- DTXSID
DTXSID90288259- ChEBI
CHEBI:65228- Nikkaji
- J952.337E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
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Related reactions
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Compound notes
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