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79887-17-5 | Benzene,1-ethynyl-4-(hexyloxy)-
CAS No: 79887-17-5 Catalog No: AG004ZE8 MDL No:MFCD00173883
Product Description
Catalog Number:
AG004ZE8
Chemical Name:
Benzene,1-ethynyl-4-(hexyloxy)-
CAS Number:
79887-17-5
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
MDL Number:
MFCD00173883
IUPAC Name:
1-ethynyl-4-hexoxybenzene
InChI:
InChI=1S/C14H18O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h2,8-11H,3,5-7,12H2,1H3
InChI Key:
KBIJVGKRGIADQH-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C#C
Properties
Complexity:
193
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:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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