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126260-80-8 | 1-Hexen-3-ol, 6-(phenylmethoxy)-
CAS No: 126260-80-8 Catalog No: AG000SFJ MDL No:
Product Description
Catalog Number:
AG000SFJ
Chemical Name:
1-Hexen-3-ol, 6-(phenylmethoxy)-
CAS Number:
126260-80-8
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
6-phenylmethoxyhex-1-en-3-ol
InChI:
InChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChI Key:
HMPNYJBASMRXRZ-UHFFFAOYSA-N
SMILES:
C=CC(CCCOCc1ccccc1)O
Properties
Complexity:
162
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:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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