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113939-89-2 | Acetic acid, 2-[(4-oxo-3(4H)-quinazolinyl)oxy]-
CAS No: 113939-89-2 Catalog No: AG000A3I MDL No:
Product Description
Catalog Number:
AG000A3I
Chemical Name:
Acetic acid, 2-[(4-oxo-3(4H)-quinazolinyl)oxy]-
CAS Number:
113939-89-2
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
2-(4-oxoquinazolin-3-yl)oxyacetic acid
InChI:
InChI=1S/C10H8N2O4/c13-9(14)5-16-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
InChI Key:
ATRKYDHHKHVLCO-UHFFFAOYSA-N
SMILES:
OC(=O)COn1cnc2c(c1=O)cccc2
Properties
Complexity:
329
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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