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Home > Pyridines > 913720-12-4
913720-12-4 | 3,3-Dimethyl-1H-Pyrrolo[3,2-B]Pyridin-2(3H)-One
CAS No: 913720-12-4 Catalog No: AG00IGMN MDL No:MFCD24556591
Product Description
Catalog Number:
AG00IGMN
Chemical Name:
3,3-Dimethyl-1H-Pyrrolo[3,2-B]Pyridin-2(3H)-One
CAS Number:
913720-12-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD24556591
IUPAC Name:
3,3-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one
InChI:
InChI=1S/C9H10N2O/c1-9(2)7-6(11-8(9)12)4-3-5-10-7/h3-5H,1-2H3,(H,11,12)
InChI Key:
FCHBZUWVGUGJNH-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)nccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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