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127801-84-7 | 5-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, methyl ester
CAS No: 127801-84-7 Catalog No: AG000XG1 MDL No:MFCD13250068
Product Description
Catalog Number:
AG000XG1
Chemical Name:
5-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, methyl ester
CAS Number:
127801-84-7
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD13250068
IUPAC Name:
methyl 2,4-dioxo-1H-quinazoline-5-carboxylate
InChI:
InChI=1S/C10H8N2O4/c1-16-9(14)5-3-2-4-6-7(5)8(13)12-10(15)11-6/h2-4H,1H3,(H2,11,12,13,15)
InChI Key:
DSKSIXZLJXEOBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(=O)[nH]c(=O)[nH]2
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:
0.3
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