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1499578-19-6 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-methyl-
CAS No: 1499578-19-6 Catalog No: AG001M5M MDL No:MFCD22370977
Product Description
Catalog Number:
AG001M5M
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-methyl-
CAS Number:
1499578-19-6
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD22370977
IUPAC Name:
7-methylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-11-3-6(8(12)13)5-2-9-4-10-7(5)11/h2-4H,1H3,(H,12,13)
InChI Key:
FIWMPOOBKALXOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1cncn2)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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