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159531-48-3 | Benzene, (1Z)-1,6-heptadien-1-yl-
CAS No: 159531-48-3 Catalog No: AG001R56 MDL No:
Product Description
Catalog Number:
AG001R56
Chemical Name:
Benzene, (1Z)-1,6-heptadien-1-yl-
CAS Number:
159531-48-3
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
hepta-1,6-dienylbenzene
InChI:
InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6-12H,1,3-5H2
InChI Key:
DHALUCGXBOUECQ-UHFFFAOYSA-N
SMILES:
C=CCCC/C=C\c1ccccc1
Properties
Complexity:
149
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:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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