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819871-65-3 | Benzene, 1-ethynyl-2-(2E)-2-heptenyl-
CAS No: 819871-65-3 Catalog No: AG004Z2F MDL No:
Product Description
Catalog Number:
AG004Z2F
Chemical Name:
Benzene, 1-ethynyl-2-(2E)-2-heptenyl-
CAS Number:
819871-65-3
Molecular Formula:
C15H18
Molecular Weight:
198.3034
IUPAC Name:
1-ethynyl-2-hept-2-enylbenzene
InChI:
InChI=1S/C15H18/c1-3-5-6-7-8-12-15-13-10-9-11-14(15)4-2/h2,7-11,13H,3,5-6,12H2,1H3
InChI Key:
QOXGGVANDPZMCT-UHFFFAOYSA-N
SMILES:
CCCC/C=C/Cc1ccccc1C#C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.309g/mol
Monoisotopic Mass:
198.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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