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27224-27-7 | 1H-Pyrrolo[3,2-b]Pyridine-3-Acetic Acid
CAS No: 27224-27-7 Catalog No: AG0032S6 MDL No:
Product Description
Catalog Number:
AG0032S6
Chemical Name:
1H-Pyrrolo[3,2-b]Pyridine-3-Acetic Acid
CAS Number:
27224-27-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
InChI:
InChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13)
InChI Key:
JRQIMQAZVVLLKI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1nccc2
Properties
Complexity:
208
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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