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79689-45-5 | 2,4(1H,3H)-Quinazolinedione, 6-ethyl-
CAS No: 79689-45-5 Catalog No: AG005IMS MDL No:
Product Description
Catalog Number:
AG005IMS
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-ethyl-
CAS Number:
79689-45-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
6-ethyl-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C10H10N2O2/c1-2-6-3-4-8-7(5-6)9(13)12-10(14)11-8/h3-5H,2H2,1H3,(H2,11,12,13,14)
InChI Key:
HJHUPJNSRCEFLZ-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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