Basic information
- CAS
3814-58-2- Standard SMILES
C=CCOC(=O)c1ccccc1C(=O)OCC1CO1- InChIKey
OFILZJAFGRGHDE-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- Allyl 2,3-epoxypropyl phthalate
- IUPAC
- 2-O-(oxiran-2-ylmethyl) 1-O-prop-2-enyl benzene-1,2-dicarboxylate
- English name
- allyl 2,3-epoxypropyl phthalate
- Molecular formula
- C14H14O5
- Molecular weight
- 262.26
Names & synonyms
Allyl 2,3-epoxypropyl phthalate3814-58-2MLS0026389912-O-(oxiran-2-ylmethyl) 1-O-prop-2-enyl benzene-1,2-dicarboxylateNSC24274EINECS 223-304-7SCHEMBL1573649CHEMBL1878431OFILZJAFGRGHDE-UHFFFAOYSA-NDTXSID101175075HMS3091F13NSC 24274
Show more names
1,2-Benzenedicarboxylic acid 1-oxiranylmethyl 2-(2-propenyl) ester1,2-Benzenedicarboxylic acid, 1-(2-oxiranylmethyl) 2-(2-propen-1-yl) ester
NSC-24274SMR001548449NS00046127(Oxiran-2-yl)methyl prop-2-en-1-yl benzene-1,2-dicarboxylate1-(2-Oxiranylmethyl) 2-(2-propen-1-yl) 1,2-benzenedicarboxylate
Database identifiers
- CAS
3814-58-2- PubChem CID
- 95221
- DTXSID
DTXSID101175075- ChEMBL
CHEMBL1878431- EC Number
- 223-304-7
- Nikkaji
- J217.700E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 141 · 141-144 °C(Press: 0.3 Torr)
- Density
- 1.1958 g/cm3 · 1.1958 g/cm3
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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