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123494-41-7 | Benzene, 1-(1E)-1-heptenyl-4-methyl-
CAS No: 123494-41-7 Catalog No: AG000KOL MDL No:
Product Description
Catalog Number:
AG000KOL
Chemical Name:
Benzene, 1-(1E)-1-heptenyl-4-methyl-
CAS Number:
123494-41-7
Molecular Formula:
C14H20
Molecular Weight:
188.3086
IUPAC Name:
1-hept-1-enyl-4-methylbenzene
InChI:
InChI=1S/C14H20/c1-3-4-5-6-7-8-14-11-9-13(2)10-12-14/h7-12H,3-6H2,1-2H3
InChI Key:
XYRKNWBSCZTLNQ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C/c1ccc(cc1)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.314g/mol
Monoisotopic Mass:
188.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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