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89121-83-5 | 3-Hexyn-2-ol, 6-(phenylmethoxy)-
CAS No: 89121-83-5 Catalog No: AG003Y8E MDL No:
Product Description
Catalog Number:
AG003Y8E
Chemical Name:
3-Hexyn-2-ol, 6-(phenylmethoxy)-
CAS Number:
89121-83-5
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
6-phenylmethoxyhex-3-yn-2-ol
InChI:
InChI=1S/C13H16O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,6,10-11H2,1H3
InChI Key:
IMDIUHYNNDOKOD-UHFFFAOYSA-N
SMILES:
CC(C#CCCOCc1ccccc1)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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