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129768-68-9 | 2-Quinazolinecarboxylic acid, 2-ethyl-1,2,3,4-tetrahydro-4-oxo-
CAS No: 129768-68-9 Catalog No: AG000TOK MDL No:
Product Description
Catalog Number:
AG000TOK
Chemical Name:
2-Quinazolinecarboxylic acid, 2-ethyl-1,2,3,4-tetrahydro-4-oxo-
CAS Number:
129768-68-9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
2-ethyl-4-oxo-1,3-dihydroquinazoline-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-2-11(10(15)16)12-8-6-4-3-5-7(8)9(14)13-11/h3-6,12H,2H2,1H3,(H,13,14)(H,15,16)
InChI Key:
FAQBQWIOBDFWDY-UHFFFAOYSA-N
SMILES:
CCC1(NC(=O)c2c(N1)cccc2)C(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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