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999-78-0 | 4,4-Dimethyl-2-pentyne
CAS No: 999-78-0 Catalog No: AG003KFV MDL No:
Product Description
Catalog Number:
AG003KFV
Chemical Name:
4,4-Dimethyl-2-pentyne
CAS Number:
999-78-0
IUPAC Name:
4,4-dimethylpent-2-yne
InChI:
InChI=1S/C7H12/c1-5-6-7(2,3)4/h1-4H3
InChI Key:
FOALCTWKQSWRST-UHFFFAOYSA-N
Properties
Complexity:
101
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:
2.7
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