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Home Carboxys 6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxylic acid

6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxylic acid

CAS No.:
852399-94-1
Catalog Number:
AG00IDLQ
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
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Product Description
Catalog Number:
AG00IDLQ
Chemical Name:
6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxylic acid
CAS Number:
852399-94-1
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD06655414
IUPAC Name:
6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O4/c1-3-4(8(12)13)5-6(11)9-2-10-7(5)14-3/h2H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
FUUXILGTYMNJST-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)oc2c1c(=O)[nH]cn2
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties