CAS 2049-95-8 | Benzene, (1,1-dimethylpropyl)- | CAS Number 2049-95-8

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2049-95-8 | Benzene, (1,1-dimethylpropyl)-

CAS No: 2049-95-8 Catalog No: AG0029QW MDL No:MFCD00015187

Product Description

Catalog Number:

AG0029QW

Chemical Name:

Benzene, (1,1-dimethylpropyl)-

CAS Number:

2049-95-8

Molecular Formula:

C11H16

Molecular Weight:

148.2447

MDL Number:

MFCD00015187

IUPAC Name:

2-methylbutan-2-ylbenzene

InChI:

InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

InChI Key:

QHTJSSMHBLGUHV-UHFFFAOYSA-N

SMILES:

CCC(c1ccccc1)(C)C

EC Number:

218-076-0

UNII:

ER8C1TON3X

NSC Number:

4025

Properties

Complexity:

107

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.249g/mol

Monoisotopic Mass:

148.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
Synthesis of cross-reactive carbohydrate determinants fragments as tools for in vitro allergy diagnosis.	Bioorganic & medicinal chemistry 20110201
Thermochemistry of ionic liquid catalyzed reactions. Experimental and theoretical study of chemical equilibria of izomerization and transalkylation of tert-amylbenzenes.	The journal of physical chemistry. B 20090924