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1190317-61-3 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methoxy-
CAS No: 1190317-61-3 Catalog No: AG000HR9 MDL No:MFCD12962962
Product Description
Catalog Number:
AG000HR9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methoxy-
CAS Number:
1190317-61-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD12962962
IUPAC Name:
6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-14-7-3-2-5-6(9(12)13)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
YIFJBHAQLNGXJP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)[nH]cc2C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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