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28935-76-4 | 3-Octen-5-yne, 2,7-dimethyl-, (3Z)-
CAS No: 28935-76-4 Catalog No: AG002X4A MDL No:
Product Description
Catalog Number:
AG002X4A
Chemical Name:
3-Octen-5-yne, 2,7-dimethyl-, (3Z)-
CAS Number:
28935-76-4
Molecular Formula:
C10H16
Molecular Weight:
136.2340
IUPAC Name:
(Z)-2,7-dimethyloct-3-en-5-yne
InChI:
InChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5-
InChI Key:
FGLNIYXXYPEICN-ALCCZGGFSA-N
SMILES:
CC(/C=C\C#CC(C)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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