Methyl 2-(hydroxymethyl)benzoate
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Basic information
- CAS
41150-46-3- Standard SMILES
COC(=O)c1ccccc1CO- InChIKey
CPWIWKDXZSJHHG-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- Methyl 2-(hydroxymethyl)benzoate
- IUPAC
- methyl 2-(hydroxymethyl)benzoate
- English name
- 2-HYDROXYMETHYL-BENZOIC ACID METHYL ESTER
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
Methyl 2-(hydroxymethyl)benzoate41150-46-32-Hydroxymethyl-benzoic acid methyl esterMethyl2-(hydroxymethyl)benzoateSCHEMBL2093831SCHEMBL2093835AKOS002433888HT-0021SB84607DA-178182-(hydroxymethyl)-benzoic acid methyl esterCS-0301978
Show more names
RARECHEM AL BD 0437Benzoicacid, 2-(hydroxyMethyl)-, Methyl ester
EN300-1837685
Database identifiers
- CAS
41150-46-3- PubChem CID
- 11805116
- Nikkaji
- J427.317F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- 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
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 302.3 · 302.3±25.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.08 · 14.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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