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1256809-63-8 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester
CAS No: 1256809-63-8 Catalog No: AG000OET MDL No:MFCD18260128
Product Description
Catalog Number:
AG000OET
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester
CAS Number:
1256809-63-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD18260128
IUPAC Name:
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-6-4-11-9-8(6)3-7(5-12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
IYTGHSWVWZKGAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)c(C)c[nH]2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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