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823228-09-7 | Benzene, 1-(3-decene-1,5-diynyl)-3-methyl-
CAS No: 823228-09-7 Catalog No: AG004YRV MDL No:
Product Description
Catalog Number:
AG004YRV
Chemical Name:
Benzene, 1-(3-decene-1,5-diynyl)-3-methyl-
CAS Number:
823228-09-7
Molecular Formula:
C17H18
Molecular Weight:
222.3248
IUPAC Name:
1-dec-3-en-1,5-diynyl-3-methylbenzene
InChI:
InChI=1S/C17H18/c1-3-4-5-6-7-8-9-10-13-17-14-11-12-16(2)15-17/h8-9,11-12,14-15H,3-5H2,1-2H3
InChI Key:
JQKRMNVCJXKOMW-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1cccc(c1)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.331g/mol
Monoisotopic Mass:
222.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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