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113290-84-9 | 2(3H)-Benzoxazolone, hexahydro-3a-methyl-, trans-
CAS No: 113290-84-9 Catalog No: AG00821A MDL No:
Product Description
Catalog Number:
AG00821A
Chemical Name:
2(3H)-Benzoxazolone, hexahydro-3a-methyl-, trans-
CAS Number:
113290-84-9
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
3a-methyl-3,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H13NO2/c1-8-5-3-2-4-6(8)11-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
OWMFIRNBPXIRBO-UHFFFAOYSA-N
SMILES:
O=C1O[C@H]2[C@@](N1)(C)CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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