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499206-36-9 | 4H-Cyclohept[d]isoxazol-4-one,5,6,7,8-tetrahydro-(9CI)
CAS No: 499206-36-9 Catalog No: AG00DWP2 MDL No:
Product Description
Catalog Number:
AG00DWP2
Chemical Name:
4H-Cyclohept[d]isoxazol-4-one,5,6,7,8-tetrahydro-(9CI)
CAS Number:
499206-36-9
IUPAC Name:
5,6,7,8-tetrahydrocyclohepta[d][1,2]oxazol-4-one
InChI:
InChI=1S/C8H9NO2/c10-7-3-1-2-4-8-6(7)5-9-11-8/h5H,1-4H2
InChI Key:
BJJJJJPBQDAGJJ-UHFFFAOYSA-N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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