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128312-73-2 | 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,7-dimethyloctyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
CAS No: 128312-73-2 Catalog No: AG000XZJ MDL No:
Product Description
Catalog Number:
AG000XZJ
Chemical Name:
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,7-dimethyloctyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
CAS Number:
128312-73-2
Molecular Formula:
C29H48O2
Molecular Weight:
428.6902
IUPAC Name:
2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene
InChI:
InChI=1S/C7H5Cl3NO4P/c8-4-5-3-6(11(12)13)1-2-7(5)15-16(9,10)14/h1-3H,4H2
InChI Key:
KWKRRLZRKOWLBW-UHFFFAOYSA-N
SMILES:
CC(CCCCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.902g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.444g/mol
Monoisotopic Mass:
302.902g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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