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119248-43-0 | 3-(5-AZAINDOLE)CARBOXYLIC ACID
CAS No: 119248-43-0 Catalog No: AG000IG0 MDL No:MFCD08690129
Product Description
Catalog Number:
AG000IG0
Chemical Name:
3-(5-AZAINDOLE)CARBOXYLIC ACID
CAS Number:
119248-43-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD08690129
IUPAC Name:
1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-1-2-9-3-5(6)7/h1-4,10H,(H,11,12)
InChI Key:
KFXCBDIUQIOENT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cncc2
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:
0.5
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