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130473-27-7 | 1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI)
CAS No: 130473-27-7 Catalog No: AG000UH1 MDL No:MFCD10697726
Product Description
Catalog Number:
AG000UH1
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-5-carboxylicacid(9CI)
CAS Number:
130473-27-7
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD10697726
IUPAC Name:
1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)6-3-5-1-2-9-7(5)4-10-6/h1-4,9H,(H,11,12)
InChI Key:
GMCCMHXRFLJCMC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc[nH]c2cn1
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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