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86697-00-9 | 2H-[1,3]DIOXOCINO[6,5-D]ISOXAZOLE
CAS No: 86697-00-9 Catalog No: AG004KJM MDL No:
Product Description
Catalog Number:
AG004KJM
Chemical Name:
2H-[1,3]DIOXOCINO[6,5-D]ISOXAZOLE
CAS Number:
86697-00-9
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
2H-[1,3]dioxocino[6,5-d][1,2]oxazole
InChI:
InChI=1S/C7H7NO3/c1-2-9-5-10-4-7-6(1)3-8-11-7/h1-4,8H,5H2
InChI Key:
OVWIMNJKKMZZIU-UHFFFAOYSA-N
SMILES:
C1OC=Cc2c(=CO1)o[nH]c2
Properties
Complexity:
242
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:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.8
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