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2750-71-2 | 3-Hexen-1-yne, 4-ethyl-
CAS No: 2750-71-2 Catalog No: AG002TY6 MDL No:
Product Description
Catalog Number:
AG002TY6
Chemical Name:
3-Hexen-1-yne, 4-ethyl-
CAS Number:
2750-71-2
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
4-ethylhex-3-en-1-yne
InChI:
InChI=1S/C8H12/c1-4-7-8(5-2)6-3/h1,7H,5-6H2,2-3H3
InChI Key:
UTEMBLSPEWIWDH-UHFFFAOYSA-N
SMILES:
CCC(=CC#C)CC
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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