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1190319-18-6 | 4-Azaindole-7-carboxylic acid
CAS No: 1190319-18-6 Catalog No: AG000HTU MDL No:MFCD12963157
Product Description
Catalog Number:
AG000HTU
Chemical Name:
4-Azaindole-7-carboxylic acid
CAS Number:
1190319-18-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD12963157
IUPAC Name:
1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)5-1-3-9-6-2-4-10-7(5)6/h1-4,10H,(H,11,12)
InChI Key:
YBYWIZUWOGPUPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1[nH]cc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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