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86165-77-7 | 3-Butenoic acid, 3-amino-4,4-dicyano-, ethyl ester
CAS No: 86165-77-7 Catalog No: AG004KUH MDL No:
Product Description
Catalog Number:
AG004KUH
Chemical Name:
3-Butenoic acid, 3-amino-4,4-dicyano-, ethyl ester
CAS Number:
86165-77-7
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
ethyl 3-amino-4,4-dicyanobut-3-enoate
InChI:
InChI=1S/C8H9N3O2/c1-2-13-8(12)3-7(11)6(4-9)5-10/h2-3,11H2,1H3
InChI Key:
PWKXQSSBFGFFBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=C(C#N)C#N)N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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