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1190312-97-0 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2-methyl-, methyl ester
CAS No: 1190312-97-0 Catalog No: AG000HKJ MDL No:
Product Description
Catalog Number:
AG000HKJ
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2-methyl-, methyl ester
CAS Number:
1190312-97-0
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-6-3-8-9(12-6)4-7(5-11-8)10(13)14-2/h3-5,12H,1-2H3
InChI Key:
HXDHPSSFUOAVFK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)[nH]c(c2)C
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:
1.3
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