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754214-42-1 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic Acid
CAS No: 754214-42-1 Catalog No: AG0032S4 MDL No:MFCD08272240
Product Description
Catalog Number:
AG0032S4
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic Acid
CAS Number:
754214-42-1
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD08272240
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)(H,11,12)
InChI Key:
SINFYKZXNIJIEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc[nH]c2nc1
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:
0.8
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