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1261537-34-1 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, ethyl ester
CAS No: 1261537-34-1 Catalog No: AG000RUE MDL No:MFCD23135757
Product Description
Catalog Number:
AG000RUE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, ethyl ester
CAS Number:
1261537-34-1
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD23135757
IUPAC Name:
ethyl 1H-pyrrolo[2,3-b]pyridine-6-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-3-7-5-6-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
RRXIGHKGMRKYSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(n1)[nH]cc2
Properties
Complexity:
220
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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