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114914-23-7 | 4(3H)-Quinazolinone, 3-[(acetyloxy)amino]-2-ethyl-
CAS No: 114914-23-7 Catalog No: AG000FFY MDL No:
Product Description
Catalog Number:
AG000FFY
Chemical Name:
4(3H)-Quinazolinone, 3-[(acetyloxy)amino]-2-ethyl-
CAS Number:
114914-23-7
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
IUPAC Name:
[(2-ethyl-4-oxoquinazolin-3-yl)amino] acetate
InChI:
InChI=1S/C12H13N3O3/c1-3-11-13-10-7-5-4-6-9(10)12(17)15(11)14-18-8(2)16/h4-7,14H,3H2,1-2H3
InChI Key:
ILBBIZYSHBOQTH-UHFFFAOYSA-N
SMILES:
CCc1nc2ccccc2c(=O)n1NOC(=O)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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