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1572-98-1 | Propanoic acid, 2-cyano-2-methyl-, ethyl ester
CAS No: 1572-98-1 Catalog No: AG001P9Z MDL No:MFCD00034667
Product Description
Catalog Number:
AG001P9Z
Chemical Name:
Propanoic acid, 2-cyano-2-methyl-, ethyl ester
CAS Number:
1572-98-1
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD00034667
IUPAC Name:
ethyl 2-cyano-2-methylpropanoate
InChI:
InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3
InChI Key:
FYGRPGOHQCPZCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C#N)(C)C
NSC Number:
402029
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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