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819871-55-1 | Benzene, 4-(1,1-dimethylethyl)-2-ethynyl-1-(2-methyl-1-propenyl)-
CAS No: 819871-55-1 Catalog No: AG005ETA MDL No:
Product Description
Catalog Number:
AG005ETA
Chemical Name:
Benzene, 4-(1,1-dimethylethyl)-2-ethynyl-1-(2-methyl-1-propenyl)-
CAS Number:
819871-55-1
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
4-tert-butyl-2-ethynyl-1-(2-methylprop-1-enyl)benzene
InChI:
InChI=1S/C16H20/c1-7-13-11-15(16(4,5)6)9-8-14(13)10-12(2)3/h1,8-11H,2-6H3
InChI Key:
CBKLSOUTIQIACZ-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1C=C(C)C)C(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.336g/mol
Monoisotopic Mass:
212.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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