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160006-23-5 | Benzene, (3Z)-3-octen-1-ynyl- (9CI)
CAS No: 160006-23-5 Catalog No: AG001RLP MDL No:
Product Description
Catalog Number:
AG001RLP
Chemical Name:
Benzene, (3Z)-3-octen-1-ynyl- (9CI)
CAS Number:
160006-23-5
Molecular Formula:
C14H16
Molecular Weight:
184.2768
IUPAC Name:
oct-3-en-1-ynylbenzene
InChI:
InChI=1S/C14H16/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-7,9-10,12-13H,2-4H2,1H3
InChI Key:
HRFXQHRMNNWCOB-UHFFFAOYSA-N
SMILES:
CCCC/C=C\C#Cc1ccccc1
Properties
Complexity:
217
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:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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