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29879-51-4 | 3H-Cyclohept[c]isoxazol-3-one,1,4,5,6,7,8-hexahydro-(8CI,9CI)
CAS No: 29879-51-4 Catalog No: AG00BSSU MDL No:
Product Description
Catalog Number:
AG00BSSU
Chemical Name:
3H-Cyclohept[c]isoxazol-3-one,1,4,5,6,7,8-hexahydro-(8CI,9CI)
CAS Number:
29879-51-4
IUPAC Name:
1,4,5,6,7,8-hexahydrocyclohepta[c][1,2]oxazol-3-one
InChI:
InChI=1S/C8H11NO2/c10-8-6-4-2-1-3-5-7(6)9-11-8/h9H,1-5H2
InChI Key:
CLEKKYHKUSVQGV-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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