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1256819-22-3

1256819-22-3 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-methyl-

CAS No: 1256819-22-3 Catalog No: AG000OF3 MDL No:

Product Description

Catalog Number:
AG000OF3
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-methyl-
CAS Number:
1256819-22-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-7-8(11-3-5)6(4-10-7)9(12)13/h2-4,10H,1H3,(H,12,13)
InChI Key:
DMOTUSGTNPCEBG-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)[nH]cc2C(=O)O

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:
1  

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