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88255-15-6 | Benzene, 1-octyl-4-(2-propynyl)-
CAS No: 88255-15-6 Catalog No: AG004CGO MDL No:
Product Description
Catalog Number:
AG004CGO
Chemical Name:
Benzene, 1-octyl-4-(2-propynyl)-
CAS Number:
88255-15-6
Molecular Formula:
C17H24
Molecular Weight:
228.3725
IUPAC Name:
1-octyl-4-prop-2-ynylbenzene
InChI:
InChI=1S/C17H24/c1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17/h2,12-15H,3,5-11H2,1H3
InChI Key:
AFDUXCUJZGWUJJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)CC#C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.379g/mol
Monoisotopic Mass:
228.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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