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959585-36-5 | α-Methyl-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
CAS No: 959585-36-5 Catalog No: AG003AH6 MDL No:
Product Description
Catalog Number:
AG003AH6
Chemical Name:
α-Methyl-1H-pyrrolo[2,3-b]pyridine-3-acetic acid
CAS Number:
959585-36-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
InChI:
InChI=1S/C10H10N2O2/c1-6(10(13)14)8-5-12-9-7(8)3-2-4-11-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChI Key:
DJTFJNNEGMZLLT-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]c2c1cccn2)C(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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