Ethyl 3-methyl-2-phenylbut-2-enoate

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Basic information

CAS: 6335-78-0
Standard SMILES: CCOC(=O)C(=C(C)C)c1ccccc1
InChIKey: XCOMMVMHCUNDKB-UHFFFAOYSA-N
Molecular formula: C13H16O2
Average molar mass: 204.26 g/mol
Monoisotopic mass: 204.11502975

Names & identifiers

Preferred name: Ethyl 3-methyl-2-phenylbut-2-enoate
IUPAC: ethyl 3-methyl-2-phenylbut-2-enoate

Names & synonyms

ethyl 3-methyl-2-phenylbut-2-enoate6335-78-0NSC388163-Methyl-2-phenyl-but-2-enoic acid ethyl esterSCHEMBL29117925DTXSID10979490NSC-38816AKOS030599858DB-204708

Database identifiers

CAS: 6335-78-0
PubChem CID: 236382
DTXSID: DTXSID10979490

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 243

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Compound notes

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