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1190319-91-5 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-methyl-
CAS No: 1190319-91-5 Catalog No: AG000HW8 MDL No:MFCD12963334
Product Description
Catalog Number:
AG000HW8
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-methyl-
CAS Number:
1190319-91-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD12963334
IUPAC Name:
4-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-10-4-7-8(5)6(3-11-7)9(12)13/h2-4,11H,1H3,(H,12,13)
InChI Key:
FSAIIMYEKIJIKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(C)cnc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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