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17351-17-6 | 1,2-Cyclohexanedimethanol, α,α,α',α'-tetraphenyl-, (1R,2R)-rel- (9CI)
CAS No: 17351-17-6 Catalog No: AG001YZH MDL No:
Product Description
Catalog Number:
AG001YZH
Chemical Name:
1,2-Cyclohexanedimethanol, α,α,α',α'-tetraphenyl-, (1R,2R)-rel- (9CI)
CAS Number:
17351-17-6
Molecular Formula:
C32H32O2
Molecular Weight:
448.5953
IUPAC Name:
[2-[hydroxy(diphenyl)methyl]cyclohexyl]-diphenylmethanol
InChI:
InChI=1S/C32H32O2/c33-31(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(34,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30,33-34H,13-14,23-24H2
InChI Key:
RTLFWAPLNMLPKS-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCC[C@H]1C(c1ccccc1)(c1ccccc1)O
NSC Number:
140625
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.24g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.606g/mol
Monoisotopic Mass:
448.24g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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