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31128-07-1 | 2-Butenoic acid, 2-cyano-3-(dimethylamino)-, ethyl ester
CAS No: 31128-07-1 Catalog No: AG00326B MDL No:
Product Description
Catalog Number:
AG00326B
Chemical Name:
2-Butenoic acid, 2-cyano-3-(dimethylamino)-, ethyl ester
CAS Number:
31128-07-1
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
ethyl 2-cyano-3-(dimethylamino)but-2-enoate
InChI:
InChI=1S/C9H14N2O2/c1-5-13-9(12)8(6-10)7(2)11(3)4/h5H2,1-4H3
InChI Key:
NWIDCOPZCILOOH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(N(C)C)C)C#N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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