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124779-00-6 | 2-Propenoic acid, 3-cyano-2-methyl-, ethyl ester, (E)- (9CI)
CAS No: 124779-00-6 Catalog No: AG000MQB MDL No:MFCD28978675
Product Description
Catalog Number:
AG000MQB
Chemical Name:
2-Propenoic acid, 3-cyano-2-methyl-, ethyl ester, (E)- (9CI)
CAS Number:
124779-00-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD28978675
IUPAC Name:
ethyl (E)-3-cyano-2-methylprop-2-enoate
InChI:
InChI=1S/C7H9NO2/c1-3-10-7(9)6(2)4-5-8/h4H,3H2,1-2H3/b6-4+
InChI Key:
YXZOQLJDKUWLSU-GQCTYLIASA-N
SMILES:
CCOC(=O)/C(=C/C#N)/C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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