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102650-76-0 | 1-Hepten-6-yne, 4,4-dimethyl-
CAS No: 102650-76-0 Catalog No: AG00081F MDL No:
Product Description
Catalog Number:
AG00081F
Chemical Name:
1-Hepten-6-yne, 4,4-dimethyl-
CAS Number:
102650-76-0
Molecular Formula:
C9H14
Molecular Weight:
122.2075
IUPAC Name:
4,4-dimethylhept-1-en-6-yne
InChI:
InChI=1S/C9H14/c1-5-7-9(3,4)8-6-2/h1,6H,2,7-8H2,3-4H3
InChI Key:
UGUCRFWLEPSYGD-UHFFFAOYSA-N
SMILES:
C=CCC(CC#C)(C)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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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