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138259-69-5 | Benzene, 1-(5-hexyn-1-yl)-4-methyl-
CAS No: 138259-69-5 Catalog No: AG0018EQ MDL No:
Product Description
Catalog Number:
AG0018EQ
Chemical Name:
Benzene, 1-(5-hexyn-1-yl)-4-methyl-
CAS Number:
138259-69-5
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
1-hex-5-ynyl-4-methylbenzene
InChI:
InChI=1S/C13H16/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h1,8-11H,4-7H2,2H3
InChI Key:
TUJNOUKMHNQJMQ-UHFFFAOYSA-N
SMILES:
C#CCCCCc1ccc(cc1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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