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129663-29-2 | 7-benzyl-3-methyl-4H,5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CAS No: 129663-29-2 Catalog No: AG00VT5J MDL No:
Product Description
Catalog Number:
AG00VT5J
Chemical Name:
7-benzyl-3-methyl-4H,5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CAS Number:
129663-29-2
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
7-benzyl-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C13H11N3O2/c1-8-11-12(18-16-8)10(14-15-13(11)17)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,17)
InChI Key:
PWXZIABNGPGMDN-UHFFFAOYSA-N
SMILES:
Cc1noc2c1c(=O)[nH]nc2Cc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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