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Methyl 4-methylcinnamate

CAT: 0127-OR12660Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
20754-20-5
MDL Number
MFCD00460746

Chemical Information

Methyl (2E)-3-(4-methylphenyl)-2-propenoate
CAS Number20754-20-5
PubChem CID5314312
IUPAC Namemethyl (E)-3-(4-methylphenyl)prop-2-enoate
Molecular FormulaC11H12O2
Molecular Weight176.21
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)OC
InChI
InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+
InChIKey
WLJBRXRCJNSDHT-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2E)-3-(4-methylphenyl)-2-propenoate
CAS: 20754-20-5
CID: 5314312
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass176.083729621
Monoisotopic Mass176.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
283063-01Methyl 4-MethylcinnaMate
ABA69259-01Methyl a-methylcinnamate
sc-228548Methyl 4-methyl-4-nitropentanoate
ZMA54487-01Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
GRA47062-01Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-014-Methyl-4-[ (methylsulfanyl) methyl]piperidine
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0163954-[ (4-Methoxyphenyl) methyl]-4-methyl-2-phenyl-
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