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115584-90-2 | Benzene, (5-methyl-4-hexen-1-yn-1-yl)-
CAS No: 115584-90-2 Catalog No: AG000G77 MDL No:
Product Description
Catalog Number:
AG000G77
Chemical Name:
Benzene, (5-methyl-4-hexen-1-yn-1-yl)-
CAS Number:
115584-90-2
Molecular Formula:
C13H14
Molecular Weight:
170.2503
IUPAC Name:
5-methylhex-4-en-1-ynylbenzene
InChI:
InChI=1S/C13H14/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-5,8-10H,6H2,1-2H3
InChI Key:
FMCZWTNXJZFDFZ-UHFFFAOYSA-N
SMILES:
CC(=CCC#Cc1ccccc1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.255g/mol
Monoisotopic Mass:
170.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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