3-Hydroxypropyl prop-2-en-1-yl carbonate
Basic information
- CAS
5401-21-8- Standard SMILES
C=CCOC(=O)OCCCO- InChIKey
ALWJEZJGOVNBSD-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- 3-Hydroxypropyl prop-2-en-1-yl carbonate
- IUPAC
- 3-hydroxypropyl prop-2-enyl carbonate
Names & synonyms
5401-21-8NSC-2297CARBONIC ACID, ALLYL 3-HYDROXYPROPYL ESTER3-hydroxypropyl prop-2-en-1-yl carbonateNSC2297V3WKA38NYKAllyl 3-hydroxypropyl carbonateDTXSID20277419
Database identifiers
- CAS
5401-21-8- PubChem CID
- 220057
- DTXSID
DTXSID20277419- UNII
- V3WKA38NYK
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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