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294634-40-5 | 2-Cyclohexen-1-one, 2-methyl-5-(2-methyl-2-oxiranyl)-, (5R)-
CAS No: 294634-40-5 Catalog No: AG002YGF MDL No:
Product Description
Catalog Number:
AG002YGF
Chemical Name:
2-Cyclohexen-1-one, 2-methyl-5-(2-methyl-2-oxiranyl)-, (5R)-
CAS Number:
294634-40-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
(5R)-2-methyl-5-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O2/c1-7-3-4-8(5-9(7)11)10(2)6-12-10/h3,8H,4-6H2,1-2H3/t8-,10?/m1/s1
InChI Key:
GYDNZKYKQMXPLK-HNHGDDPOSA-N
SMILES:
CC1=CC[C@H](CC1=O)C1(C)CO1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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