Basic information
- CAS
121733-80-0- Standard SMILES
C=CC(=O)OC(CC)CO- InChIKey
QQIFWCIRQPKKAH-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 2-Propenoic acid, 1-(hydroxymethyl)propyl ester
- IUPAC
- 1-hydroxybutan-2-yl prop-2-enoate
- English name
- Propenoic acid 1-(hydroxymethyl)propyl ester
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
121733-80-02-Propenoic acid, 1-(hydroxymethyl)propyl esterDTXSID20888261RefChem:479122DTXCID1010275411-hydroxybutan-2-yl prop-2-enoateSCHEMBL3164711SCHEMBL27517333QQIFWCIRQPKKAH-UHFFFAOYSA-N1,2-Butanediol 2-acrylateAcrylic acid 1-(hydroxymethyl)propyl esterPropenoic acid 1-(hydroxymethyl)propyl ester
Database identifiers
- CAS
121733-80-0- PubChem CID
- 86186
- DTXSID
DTXSID20888261- Nikkaji
- J175.503J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 1-(hydroxymethyl)propyl ester (121733-80-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 1-(hydroxymethyl)propyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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