Methyl 2-(3-hydroxypropyl)benzoate
Basic information
- CAS
106515-76-8- Standard SMILES
COC(=O)c1ccccc1CCCO- InChIKey
USNKYYQYLPOJPB-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Methyl 2-(3-hydroxypropyl)benzoate
- IUPAC
- methyl 2-(3-hydroxypropyl)benzoate
- English name
- Benzoic acid, 2-(3-hydroxypropyl)-, methyl ester
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
methyl 2-(3-hydroxypropyl)benzoate106515-76-8Benzoic acid, 2-(3-hydroxypropyl)-, methyl esterSCHEMBL383349DTXSID20710891USNKYYQYLPOJPB-UHFFFAOYSA-Nmethyl o-(1-hydroxyprop-3-yl)benzoateDB-096173EN300-1836970
Database identifiers
- CAS
106515-76-8- PubChem CID
- 54370039
- DTXSID
DTXSID20710891- Nikkaji
- J2.764.475I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
5 records
Compound notes
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