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179246-15-2 | 4(3H)-Quinazolinone, 6,7-diethoxy-
CAS No: 179246-15-2 Catalog No: AG0026VJ MDL No:MFCD15528966
Product Description
Catalog Number:
AG0026VJ
Chemical Name:
4(3H)-Quinazolinone, 6,7-diethoxy-
CAS Number:
179246-15-2
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD15528966
IUPAC Name:
6,7-diethoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C12H14N2O3/c1-3-16-10-5-8-9(6-11(10)17-4-2)13-7-14-12(8)15/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChI Key:
CAKNVIMJJNHQLR-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(cc1OCC)nc[nH]c2=O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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