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86697-01-0 | 4H-[1,3]DIOXOCINO[5,6-D]ISOXAZOLE
CAS No: 86697-01-0 Catalog No: AG004O68 MDL No:MFCD18819851
Product Description
Catalog Number:
AG004O68
Chemical Name:
4H-[1,3]DIOXOCINO[5,6-D]ISOXAZOLE
CAS Number:
86697-01-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD18819851
IUPAC Name:
4H-[1,3]dioxocino[5,6-d][1,2]oxazole
InChI:
InChI=1S/C7H7NO3/c1-2-9-5-10-4-6-3-8-11-7(1)6/h1-3H,4-5H2
InChI Key:
VIUOPJDSWHGGCE-UHFFFAOYSA-N
SMILES:
C1OC=Cc2c(CO1)cno2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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