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1630906-55-6 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-methyl-, methyl ester
CAS No: 1630906-55-6 Catalog No: AG001TQC MDL No:MFCD27987412
Product Description
Catalog Number:
AG001TQC
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-methyl-, methyl ester
CAS Number:
1630906-55-6
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD27987412
IUPAC Name:
methyl 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-5-3-10-8-6(5)7(9(13)14-2)11-4-12-8/h3-4H,1-2H3,(H,10,11,12)
InChI Key:
OJKMQQAAAJJGLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncnc2c1c(C)c[nH]2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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