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114049-51-3 | 2-Oxetanone, 4-cyclohexyl-3-ethyl-, trans- (9CI)
CAS No: 114049-51-3 Catalog No: AG000AEP MDL No:
Product Description
Catalog Number:
AG000AEP
Chemical Name:
2-Oxetanone, 4-cyclohexyl-3-ethyl-, trans- (9CI)
CAS Number:
114049-51-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
(3S,4S)-4-cyclohexyl-3-ethyloxetan-2-one
InChI:
InChI=1S/C11H18O2/c1-2-9-10(13-11(9)12)8-6-4-3-5-7-8/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChI Key:
WRNUTCTXPQUMFT-UWVGGRQHSA-N
SMILES:
CC[C@@H]1C(=O)O[C@H]1C1CCCCC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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