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189100-50-3 | 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-, (6R)-
CAS No: 189100-50-3 Catalog No: AG002HW2 MDL No:
Product Description
Catalog Number:
AG002HW2
Chemical Name:
3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-, (6R)-
CAS Number:
189100-50-3
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
(6R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChI Key:
YCFJXOFFQLPCHD-RXMQYKEDSA-N
SMILES:
OC(=O)[C@H]1Cc2nc[nH]c2CN1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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