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122079-45-2 | 2(5H)-Furanone, 5-[[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5R)-
CAS No: 122079-45-2 Catalog No: AG0016PZ MDL No:
Product Description
Catalog Number:
AG0016PZ
Chemical Name:
2(5H)-Furanone, 5-[[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5R)-
CAS Number:
122079-45-2
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
(2S)-2-[(5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
InChI:
InChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3/t10-,11?,12?,14-/m0/s1
InChI Key:
URWJVUPZIGIVFZ-BBCYWQGDSA-N
SMILES:
C[C@H]1CC[C@@H]([C@H](C1)O[C@H]1C=CC(=O)O1)C(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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