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1011-24-1 | 4(3H)-Quinazolinone, 2-methoxy-
CAS No: 1011-24-1 Catalog No: AG0003QZ MDL No:MFCD00126781
Product Description
Catalog Number:
AG0003QZ
Chemical Name:
4(3H)-Quinazolinone, 2-methoxy-
CAS Number:
1011-24-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00126781
IUPAC Name:
2-methoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C9H8N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-5H,1H3,(H,10,11,12)
InChI Key:
VBTJLUHQGXNGAO-UHFFFAOYSA-N
SMILES:
COc1nc2ccccc2c(=O)[nH]1
NSC Number:
401252
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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