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83702-63-0 | 8H-Cyclohept[d]isoxazol-8-one,3-methyl-(9CI)
CAS No: 83702-63-0 Catalog No: AG00GR2R MDL No:
Product Description
Catalog Number:
AG00GR2R
Chemical Name:
8H-Cyclohept[d]isoxazol-8-one,3-methyl-(9CI)
CAS Number:
83702-63-0
IUPAC Name:
3-methylcyclohepta[d][1,2]oxazol-8-one
InChI:
InChI=1S/C9H7NO2/c1-6-7-4-2-3-5-8(11)9(7)12-10-6/h2-5H,1H3
InChI Key:
LWANMFZDCCIVHI-UHFFFAOYSA-N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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