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824393-48-8 | 4-Penten-1-ol, 2,2-dimethyl-5-phenyl-3-(phenylmethoxy)-, (3S)-
CAS No: 824393-48-8 Catalog No: AG004WNH MDL No:
Product Description
Catalog Number:
AG004WNH
Chemical Name:
4-Penten-1-ol, 2,2-dimethyl-5-phenyl-3-(phenylmethoxy)-, (3S)-
CAS Number:
824393-48-8
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
IUPAC Name:
(3S)-2,2-dimethyl-5-phenyl-3-phenylmethoxypent-4-en-1-ol
InChI:
InChI=1S/C20H24O2/c1-20(2,16-21)19(14-13-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h3-14,19,21H,15-16H2,1-2H3/t19-/m0/s1
InChI Key:
MRTQJCDEQXXZMP-IBGZPJMESA-N
SMILES:
OCC([C@H](C=Cc1ccccc1)OCc1ccccc1)(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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