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128599-33-7 | 5-Hexyn-1-ol, 6-(4-methoxyphenyl)-
CAS No: 128599-33-7 Catalog No: AG000Y8G MDL No:
Product Description
Catalog Number:
AG000Y8G
Chemical Name:
5-Hexyn-1-ol, 6-(4-methoxyphenyl)-
CAS Number:
128599-33-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
6-(4-methoxyphenyl)hex-5-yn-1-ol
InChI:
InChI=1S/C13H16O2/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h7-10,14H,2-3,5,11H2,1H3
InChI Key:
UQAOKADDXZSSGH-UHFFFAOYSA-N
SMILES:
OCCCCC#Cc1ccc(cc1)OC
Properties
Complexity:
215
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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