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1190314-06-7 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-, methyl ester
CAS No: 1190314-06-7 Catalog No: AG000HLN MDL No:
Product Description
Catalog Number:
AG000HLN
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-, methyl ester
CAS Number:
1190314-06-7
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
methyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)7-2-3-11-9-8(7)6(5-13)4-12-9/h2-5H,1H3,(H,11,12)
InChI Key:
YSNAXVDKFQCDET-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1c(C=O)c[nH]2
Properties
Complexity:
269
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:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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