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16347-92-5 | 4(1H)-Quinazolinone, 1-ethyl-
CAS No: 16347-92-5 Catalog No: AG001U56 MDL No:
Product Description
Catalog Number:
AG001U56
Chemical Name:
4(1H)-Quinazolinone, 1-ethyl-
CAS Number:
16347-92-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-ethylquinazolin-4-one
InChI:
InChI=1S/C10H10N2O/c1-2-12-7-11-10(13)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3
InChI Key:
UNPYGFBXIWLZTF-UHFFFAOYSA-N
SMILES:
CCn1cnc(=O)c2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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