Basic information
- CAS
103513-16-2- Standard SMILES
C1CO1.C=CC#N.C=Cc1ccccc1.CC1CO1.CCC(CO)(CO)CO- InChIKey
SCQRMFUNKUNZEK-UHFFFAOYSA-N- Molecular formula
- C22H35NO5
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene
- IUPAC
- 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene
- English name
- 2-Propenenitrile, polymer with ethenylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxirane and oxirane
- Molecular formula
- C22H35NO5
- Molecular weight
- 393.517
Names & synonyms
SCQRMFUNKUNZEK-UHFFFAOYSA-N2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene2-Propenenitrile, polymer with ethenylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxirane and oxirane
Database identifiers
- CAS
103513-16-2
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenenitrile, polymer with ethenylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxirane and oxirane (103513-16-2)
- 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.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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