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100568-79-4 | 2H-Indol-2-one, 5,6-diamino-1,3-dihydro-3,3-dimethyl-
CAS No: 100568-79-4 Catalog No: AG0002D7 MDL No:
Product Description
Catalog Number:
AG0002D7
Chemical Name:
2H-Indol-2-one, 5,6-diamino-1,3-dihydro-3,3-dimethyl-
CAS Number:
100568-79-4
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
IUPAC Name:
5,6-diamino-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C10H13N3O/c1-10(2)5-3-6(11)7(12)4-8(5)13-9(10)14/h3-4H,11-12H2,1-2H3,(H,13,14)
InChI Key:
HHDYSDWIZLXLDU-UHFFFAOYSA-N
SMILES:
Nc1cc2c(cc1N)NC(=O)C2(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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