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1000342-75-5

1000342-75-5 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-methyl-

CAS No: 1000342-75-5 Catalog No: AG0000KA MDL No:

Product Description

Catalog Number:
AG0000KA
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-methyl-
CAS Number:
1000342-75-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
4-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-8-6(9(12)13)4-11-7(8)2-3-10-5/h2-4,11H,1H3,(H,12,13)
InChI Key:
WWCLXULQDPMSPV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(C)ncc2

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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