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1026727-75-2 | 4(3H)-Quinazolinone, 2-amino-7-methyl-
CAS No: 1026727-75-2 Catalog No: AG00082E MDL No:
Product Description
Catalog Number:
AG00082E
Chemical Name:
4(3H)-Quinazolinone, 2-amino-7-methyl-
CAS Number:
1026727-75-2
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
2-amino-7-methyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H9N3O/c1-5-2-3-6-7(4-5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChI Key:
MVWSAUGKNXPFDM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]c2=O)N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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