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85514-83-6 | 1-Dodecanol, 2-(phenylmethoxy)-, (S)-
CAS No: 85514-83-6 Catalog No: AG004JBO MDL No:
Product Description
Catalog Number:
AG004JBO
Chemical Name:
1-Dodecanol, 2-(phenylmethoxy)-, (S)-
CAS Number:
85514-83-6
Molecular Formula:
C19H32O2
Molecular Weight:
292.4562
IUPAC Name:
(2S)-2-phenylmethoxydodecan-1-ol
InChI:
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-12-15-19(16-20)21-17-18-13-10-9-11-14-18/h9-11,13-14,19-20H,2-8,12,15-17H2,1H3/t19-/m0/s1
InChI Key:
IELTXMARFBZPPZ-IBGZPJMESA-N
SMILES:
CCCCCCCCCC[C@H](OCc1ccccc1)CO
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.24g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.463g/mol
Monoisotopic Mass:
292.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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