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161373-42-8 | 3-Cinnolinecarboxylic acid, 4-amino-6,7-dimethyl-
CAS No: 161373-42-8 Catalog No: AG001SFF MDL No:
Product Description
Catalog Number:
AG001SFF
Chemical Name:
3-Cinnolinecarboxylic acid, 4-amino-6,7-dimethyl-
CAS Number:
161373-42-8
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
4-amino-6,7-dimethylcinnoline-3-carboxylic acid
InChI:
InChI=1S/C11H11N3O2/c1-5-3-7-8(4-6(5)2)13-14-10(9(7)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16)
InChI Key:
QVHURDLSHVYKIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnc2c(c1N)cc(c(c2)C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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