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73945-40-1 | 1,2,3-Benzotriazin-4(3H)-one, 3-acetyl-
CAS No: 73945-40-1 Catalog No: AG005IVA MDL No:
Product Description
Catalog Number:
AG005IVA
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one, 3-acetyl-
CAS Number:
73945-40-1
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
IUPAC Name:
3-acetyl-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C9H7N3O2/c1-6(13)12-9(14)7-4-2-3-5-8(7)10-11-12/h2-5H,1H3
InChI Key:
YYAMTURBQJYTCE-UHFFFAOYSA-N
SMILES:
CC(=O)n1nnc2c(c1=O)cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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