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Ethyl 2-methyl-3-phenyl-2-propenoate

HCID 235357
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
1734-78-7
Standard SMILES
CCOC(=O)C(C)=Cc1ccccc1
InChIKey
NPEIPXJIYYHTMY-UHFFFAOYSA-N
Molecular formula
C12H14O2
Average molar mass
190.24 g/mol
Monoisotopic mass
190.09937969

Names & identifiers

Preferred name
Ethyl 2-methyl-3-phenyl-2-propenoate
IUPAC
ethyl 2-methyl-3-phenylprop-2-enoate

Names & synonyms

Ethyl 2-methyl-3-phenyl-2-propenoate1734-78-7RefChem:342888ethyl 2-methyl-3-phenylacrylateethyl 2-methyl-3-phenylprop-2-enoate2-Propenoic acid, 2-methyl-3-phenyl-, ethyl esterSCHEMBL321699NPEIPXJIYYHTMY-UHFFFAOYSA-NDTXSID801290315

Database identifiers

CAS
1734-78-7
PubChem CID
235357
DTXSID
DTXSID801290315

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
212

Related reactions

2 records
New reaction record
HRID 1014764 reaction equation
HRID 1014764As reactantuspto-grants-2011_07
HRID 2149065 reaction equation
HRID 2149065As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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