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890707-29-6 | 2-Amino-5-cyano-N,3-dimethylbenzamide
CAS No: 890707-29-6 Catalog No: AG0040AK MDL No:MFCD20690897
Product Description
Catalog Number:
AG0040AK
Chemical Name:
2-Amino-5-cyano-N,3-dimethylbenzamide
CAS Number:
890707-29-6
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD20690897
IUPAC Name:
2-amino-5-cyano-N,3-dimethylbenzamide
InChI:
InChI=1S/C10H11N3O/c1-6-3-7(5-11)4-8(9(6)12)10(14)13-2/h3-4H,12H2,1-2H3,(H,13,14)
InChI Key:
UOCPQZOXOQZEGV-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(C#N)cc(c1N)C
EC Number:
619-946-6
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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