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113729-46-7 | Benzene, (2,3-dimethyl-1-hexen-5-yn-1-yl)-
CAS No: 113729-46-7 Catalog No: AG0009H3 MDL No:
Product Description
Catalog Number:
AG0009H3
Chemical Name:
Benzene, (2,3-dimethyl-1-hexen-5-yn-1-yl)-
CAS Number:
113729-46-7
Molecular Formula:
C14H16
Molecular Weight:
184.2768
IUPAC Name:
2,3-dimethylhex-1-en-5-ynylbenzene
InChI:
InChI=1S/C14H16/c1-4-8-12(2)13(3)11-14-9-6-5-7-10-14/h1,5-7,9-12H,8H2,2-3H3
InChI Key:
CSJAMWYJWSBAEM-UHFFFAOYSA-N
SMILES:
CC(C(=Cc1ccccc1)C)CC#C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.125g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.282g/mol
Monoisotopic Mass:
184.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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