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1190311-20-6 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-methoxy-
CAS No: 1190311-20-6 Catalog No: AG000HHO MDL No:MFCD12962706
Product Description
Catalog Number:
AG000HHO
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-methoxy-
CAS Number:
1190311-20-6
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD12962706
IUPAC Name:
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-14-6-2-3-10-8-7(6)5(4-11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
CODHBXSLVPZMIW-UHFFFAOYSA-N
SMILES:
COc1ccnc2c1c(c[nH]2)C(=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:
0.8
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