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2586-89-2 | 3-HEPTYNE
CAS No: 2586-89-2 Catalog No: AG003JIK MDL No:
Product Description
Catalog Number:
AG003JIK
Chemical Name:
3-HEPTYNE
CAS Number:
2586-89-2
IUPAC Name:
hept-3-yne
InChI:
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3
InChI Key:
KLYHSJRCIZOUHE-UHFFFAOYSA-N
EC Number:
219-967-7
UNII:
ASI2RQ5WEI
Properties
Complexity:
78.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| The substituted alkyne 3-heptyne is eclipsed. | The journal of physical chemistry. A 20070510 |
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