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102266-56-8

102266-56-8 | 3-Butenoic acid, 3-amino-4,4-dicyano-, methyl ester

CAS No: 102266-56-8 Catalog No: AG000725 MDL No:

Product Description

Catalog Number:
AG000725
Chemical Name:
3-Butenoic acid, 3-amino-4,4-dicyano-, methyl ester
CAS Number:
102266-56-8
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
IUPAC Name:
methyl 3-amino-4,4-dicyanobut-3-enoate
InChI:
InChI=1S/C7H7N3O2/c1-12-7(11)2-6(10)5(3-8)4-9/h2,10H2,1H3
InChI Key:
GMOGMHRTFIFKBA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=C(C#N)C#N)N

Properties

Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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