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1198106-53-4 | 1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1,3-dimethyl ester
CAS No: 1198106-53-4 Catalog No: AG000PP2 MDL No:MFCD13563096
Product Description
Catalog Number:
AG000PP2
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1,3-dimethyl ester
CAS Number:
1198106-53-4
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD13563096
IUPAC Name:
dimethyl 5-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxylate
InChI:
InChI=1S/C12H12N2O4/c1-7-4-8-9(11(15)17-2)6-14(12(16)18-3)10(8)13-5-7/h4-6H,1-3H3
InChI Key:
FIFRDIXJBJVLRI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c2c1cc(C)cn2)C(=O)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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