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89154-44-9 | Benzene, (1,5-dimethyl-1,5-hexadien-3-ynyl)-
CAS No: 89154-44-9 Catalog No: AG003XA5 MDL No:
Product Description
Catalog Number:
AG003XA5
Chemical Name:
Benzene, (1,5-dimethyl-1,5-hexadien-3-ynyl)-
CAS Number:
89154-44-9
Molecular Formula:
C14H14
Molecular Weight:
182.2610
IUPAC Name:
6-methylhepta-2,6-dien-4-yn-2-ylbenzene
InChI:
InChI=1S/C14H14/c1-12(2)8-7-9-13(3)14-10-5-4-6-11-14/h4-6,9-11H,1H2,2-3H3
InChI Key:
VJIRRLGUNQZCHG-UHFFFAOYSA-N
SMILES:
CC(=CC#CC(=C)C)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.266g/mol
Monoisotopic Mass:
182.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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