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88097-08-9 | Cyclohexanone, 2,6-bis(2-methoxyphenyl)-, cis-
CAS No: 88097-08-9 Catalog No: AG004EH4 MDL No:
Product Description
Catalog Number:
AG004EH4
Chemical Name:
Cyclohexanone, 2,6-bis(2-methoxyphenyl)-, cis-
CAS Number:
88097-08-9
Molecular Formula:
C20H22O3
Molecular Weight:
310.3869
IUPAC Name:
(2S,6R)-2,6-bis(2-methoxyphenyl)cyclohexan-1-one
InChI:
InChI=1S/C20H22O3/c1-22-18-12-5-3-8-14(18)16-10-7-11-17(20(16)21)15-9-4-6-13-19(15)23-2/h3-6,8-9,12-13,16-17H,7,10-11H2,1-2H3/t16-,17+
InChI Key:
DPAFQTHUZPPTBB-CALCHBBNSA-N
SMILES:
COc1ccccc1[C@@H]1CCC[C@@H](C1=O)c1ccccc1OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
310.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.393g/mol
Monoisotopic Mass:
310.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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