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169030-84-6 | 1H-PYRROLO[2,3-B]PYRIDINE-3-ACETIC ACID, METHYL ESTER
CAS No: 169030-84-6 Catalog No: AG001YFE MDL No:MFCD11226228
Product Description
Catalog Number:
AG001YFE
Chemical Name:
1H-PYRROLO[2,3-B]PYRIDINE-3-ACETIC ACID, METHYL ESTER
CAS Number:
169030-84-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD11226228
IUPAC Name:
methyl 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
InChI:
InChI=1S/C10H10N2O2/c1-14-9(13)5-7-6-12-10-8(7)3-2-4-11-10/h2-4,6H,5H2,1H3,(H,11,12)
InChI Key:
BWLDWKHDOPUYAO-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1cccn2
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:
1.1
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