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119239-98-4 | 5-Hexen-3-ol, 1-(phenylmethoxy)-, (3S)-
CAS No: 119239-98-4 Catalog No: AG000IFB MDL No:
Product Description
Catalog Number:
AG000IFB
Chemical Name:
5-Hexen-3-ol, 1-(phenylmethoxy)-, (3S)-
CAS Number:
119239-98-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(3S)-1-phenylmethoxyhex-5-en-3-ol
InChI:
InChI=1S/C13H18O2/c1-2-6-13(14)9-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-/m0/s1
InChI Key:
DFUIYVAYKWUHIF-ZDUSSCGKSA-N
SMILES:
C=CC[C@@H](CCOCc1ccccc1)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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