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174074-88-5 | 7-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, methyl ester
CAS No: 174074-88-5 Catalog No: AG001ZFQ MDL No:MFCD12031312
Product Description
Catalog Number:
AG001ZFQ
Chemical Name:
7-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, methyl ester
CAS Number:
174074-88-5
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD12031312
IUPAC Name:
methyl 2,4-dioxo-1H-quinazoline-7-carboxylate
InChI:
InChI=1S/C10H8N2O4/c1-16-9(14)5-2-3-6-7(4-5)11-10(15)12-8(6)13/h2-4H,1H3,(H2,11,12,13,15)
InChI Key:
CZKCZHGGECJJMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(=O)[nH]c2=O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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