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139016-26-5 | 1-Octen-4-yne, 6-methyl-
CAS No: 139016-26-5 Catalog No: AG001A0I MDL No:
Product Description
Catalog Number:
AG001A0I
Chemical Name:
1-Octen-4-yne, 6-methyl-
CAS Number:
139016-26-5
Molecular Formula:
C9H14
Molecular Weight:
122.2075
IUPAC Name:
6-methyloct-1-en-4-yne
InChI:
InChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h4,9H,1,5-6H2,2-3H3
InChI Key:
ZBTQOIATJFDDMY-UHFFFAOYSA-N
SMILES:
C=CCC#CC(CC)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.11g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.211g/mol
Monoisotopic Mass:
122.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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