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155204-17-4 | 1-Hexyn-3-ol, 3,5-dimethyl-1-phenyl-
CAS No: 155204-17-4 Catalog No: AG001NQC MDL No:
Product Description
Catalog Number:
AG001NQC
Chemical Name:
1-Hexyn-3-ol, 3,5-dimethyl-1-phenyl-
CAS Number:
155204-17-4
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
3,5-dimethyl-1-phenylhex-1-yn-3-ol
InChI:
InChI=1S/C14H18O/c1-12(2)11-14(3,15)10-9-13-7-5-4-6-8-13/h4-8,12,15H,11H2,1-3H3
InChI Key:
FOCUGTIHFFIKPC-UHFFFAOYSA-N
SMILES:
CC(CC(C#Cc1ccccc1)(O)C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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