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1190321-11-9 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-
CAS No: 1190321-11-9 Catalog No: AG000HZ7 MDL No:MFCD12963468
Product Description
Catalog Number:
AG000HZ7
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-
CAS Number:
1190321-11-9
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD12963468
IUPAC Name:
3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-4-5-3-11-8-7(5)6(9(13)14)1-2-10-8/h1-4H,(H,10,11)(H,13,14)
InChI Key:
VGKXTCSGDWIWKB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccn2)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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