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849067-96-5 | Methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS No: 849067-96-5 Catalog No: AG0039Q7 MDL No:MFCD08457785
Product Description
Catalog Number:
AG0039Q7
Chemical Name:
Methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS Number:
849067-96-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD08457785
IUPAC Name:
methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)11-5-7/h2-5H,1H3,(H,10,11)
InChI Key:
HUOFVBYYMPMLBQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)cc[nH]2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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