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162287-11-8 | 6-Hepten-1-ol, 2-methyl-2-(phenylmethoxy)-, (2S)-
CAS No: 162287-11-8 Catalog No: AG001SYC MDL No:
Product Description
Catalog Number:
AG001SYC
Chemical Name:
6-Hepten-1-ol, 2-methyl-2-(phenylmethoxy)-, (2S)-
CAS Number:
162287-11-8
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
(2S)-2-methyl-2-phenylmethoxyhept-6-en-1-ol
InChI:
InChI=1S/C15H22O2/c1-3-4-8-11-15(2,13-16)17-12-14-9-6-5-7-10-14/h3,5-7,9-10,16H,1,4,8,11-13H2,2H3/t15-/m0/s1
InChI Key:
NKRLSSIAXFFDPA-HNNXBMFYSA-N
SMILES:
C=CCCC[C@](OCc1ccccc1)(CO)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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