ethyl (2Z)-2-methyl-3-phenylprop-2-enoate
Basic information
- CAS
1734-78-7- Standard SMILES
CCOC(=O)/C(C)=C\c1ccccc1- InChIKey
NPEIPXJIYYHTMY-KTKRTIGZSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- ethyl (2Z)-2-methyl-3-phenylprop-2-enoate
- IUPAC
- ethyl (Z)-2-methyl-3-phenylprop-2-enoate
Names & synonyms
ethyl 2-methyl-3-phenylacrylateNSC36614ethyl (2Z)-2-methyl-3-phenylprop-2-enoateNPEIPXJIYYHTMY-KTKRTIGZSA-NSC-36614NSC406206AKOS002337500NSC-406206ST51066137(Z)-2-Methyl-3-phenyl-acrylic acid ethyl esterInChI=1/C12H14O2/c1-3-14-12(13)10(2)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9-
Database identifiers
- CAS
1734-78-7、7042-33-3- PubChem CID
- 5355451
- Nikkaji
- J930.759A
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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