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115560-90-2 | 4-Hexen-2-ol, 1-(phenylmethoxy)-, (2R,4E)-
CAS No: 115560-90-2 Catalog No: AG000G65 MDL No:
Product Description
Catalog Number:
AG000G65
Chemical Name:
4-Hexen-2-ol, 1-(phenylmethoxy)-, (2R,4E)-
CAS Number:
115560-90-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-phenylmethoxyhex-4-en-2-ol
InChI:
InChI=1S/C13H18O2/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12/h2-8,13-14H,9-11H2,1H3
InChI Key:
ZFFODMSTNAIGGR-UHFFFAOYSA-N
SMILES:
C/C=C/C[C@H](COCc1ccccc1)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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