2-Methylpropyl 2-methylprop-2-enoate--1-ethenyl-2-methylbenzene (1/1)
Basic information
- CAS
39401-05-3- Standard SMILES
C=C(C)C(=O)OCC(C)C.C=Cc1ccccc1C- InChIKey
AYIJLMMQOJAFRQ-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Names & identifiers
- Preferred name
- 2-Methylpropyl 2-methylprop-2-enoate--1-ethenyl-2-methylbenzene (1/1)
- IUPAC
- 1-ethenyl-2-methylbenzene;2-methylpropyl 2-methylprop-2-enoate
- English name
- 2-Propenoic acid, 2-methyl-, 2-methylpropyl ester, polymer with ethenylmethylbenzene
- Molecular formula
- C17H24O2
- Molecular weight
- 260.37126
Names & synonyms
SCHEMBL11206503DTXSID209600762-Methylpropyl 2-methylprop-2-enoate--1-ethenyl-2-methylbenzene (1/1)2-Propenoic acid, 2-methyl-, 2-methylpropyl ester, polymer with ethenylmethylbenzene
Database identifiers
- CAS
39401-05-3- PubChem CID
- 170200
- DTXSID
DTXSID20960076
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-methyl-, 2-methylpropyl ester, polymer with ethenylmethylbenzene (39401-05-3)
- 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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