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17530-25-5 | 2-Hexyne, 4-ethyl-4-methyl-
CAS No: 17530-25-5 Catalog No: AG0020WM MDL No:
Product Description
Catalog Number:
AG0020WM
Chemical Name:
2-Hexyne, 4-ethyl-4-methyl-
CAS Number:
17530-25-5
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
4-ethyl-4-methylhex-2-yne
InChI:
InChI=1S/C9H16/c1-5-8-9(4,6-2)7-3/h6-7H2,1-4H3
InChI Key:
WPNNVUZJQMMPMW-UHFFFAOYSA-N
SMILES:
CC#CC(CC)(CC)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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