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100950-90-1 | Benzene, (1,1,4,4-tetramethyl-2-pentyn-1-yl)-
CAS No: 100950-90-1 Catalog No: AG0003B5 MDL No:
Product Description
Catalog Number:
AG0003B5
Chemical Name:
Benzene, (1,1,4,4-tetramethyl-2-pentyn-1-yl)-
CAS Number:
100950-90-1
Molecular Formula:
C15H20
Molecular Weight:
200.3193
IUPAC Name:
2,5,5-trimethylhex-3-yn-2-ylbenzene
InChI:
InChI=1S/C15H20/c1-14(2,3)11-12-15(4,5)13-9-7-6-8-10-13/h6-10H,1-5H3
InChI Key:
ANBSWDURAAMBOL-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(C#CC(C)(C)C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.325g/mol
Monoisotopic Mass:
200.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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