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1147753-38-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 1-methyl-
CAS No: 1147753-38-5 Catalog No: AG000F6L MDL No:MFCD13302392
Product Description
Catalog Number:
AG000F6L
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 1-methyl-
CAS Number:
1147753-38-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD13302392
IUPAC Name:
1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-5-3-6-7(9(12)13)2-4-10-8(6)11/h2-5H,1H3,(H,12,13)
InChI Key:
FDPGPKFADPMZLJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1ccn2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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