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154962-35-3 | 1-Hexanol, 6-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenoxy]-
CAS No: 154962-35-3 Catalog No: AG001NHV MDL No:
Product Description
Catalog Number:
AG001NHV
Chemical Name:
1-Hexanol, 6-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenoxy]-
CAS Number:
154962-35-3
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
6-[4-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]hexan-1-ol
InChI:
InChI=1S/C17H24O3/c1-17(2,19)12-11-15-7-9-16(10-8-15)20-14-6-4-3-5-13-18/h7-10,18-19H,3-6,13-14H2,1-2H3
InChI Key:
XUGYQYXVZUITLE-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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