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1190313-55-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-formyl-4-methyl-
CAS No: 1190313-55-3 Catalog No: AG000HL1 MDL No:MFCD12962758
Product Description
Catalog Number:
AG000HL1
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-formyl-4-methyl-
CAS Number:
1190313-55-3
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD12962758
IUPAC Name:
3-formyl-4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c1-5-7(10(14)15)3-12-9-8(5)6(4-13)2-11-9/h2-4H,1H3,(H,11,12)(H,14,15)
InChI Key:
HGLDDCHTXUAXIS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)c(cn2)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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