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77931-65-8 | Isoxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 7,8-dihydro-3,7,7-trimethyl- (9CI)
CAS No: 77931-65-8 Catalog No: AG00GFIO MDL No:
Product Description
Catalog Number:
AG00GFIO
Chemical Name:
Isoxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 7,8-dihydro-3,7,7-trimethyl- (9CI)
CAS Number:
77931-65-8
IUPAC Name:
3,7,7-trimethyl-4,8-dihydro-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
InChI:
InChI=1S/C9H12N2O3/c1-5-7-6(14-11-5)4-9(2,3)13-8(12)10-7/h4H2,1-3H3,(H,10,12)
InChI Key:
SSZRWCKRZZYAAF-UHFFFAOYSA-N
UNII:
VU10V8LPX0
NSC Number:
353675
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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