Name: Name:5-tert-butylhemimellitene
Brand: Angene
SKU: AG005VNJ
Rating: 90 (10 reviews)

5-tert-butylhemimellitene

CAS No.:

98-23-7

Catalog Number:

AG005VNJ

Molecular Formula:

C13H20

Molecular Weight:

176.2979

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Product Description

Catalog Number:

AG005VNJ

Chemical Name:

5-tert-butylhemimellitene

CAS Number:

98-23-7

Molecular Formula:

C13H20

Molecular Weight:

176.2979

MDL Number:

MFCD00043642

IUPAC Name:

5-tert-butyl-1,2,3-trimethylbenzene

InChI:

InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3

InChI Key:

ZQVJKYPEIPJEIP-UHFFFAOYSA-N

SMILES:

Cc1c(C)cc(cc1C)C(C)(C)C

EC Number:

202-648-1

UNII:

36NBO9ZA2F

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.303g/mol

Monoisotopic Mass:

176.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Stannylium ions, a tin(II) arene complex, and a tin dication stabilized by weakly coordinating anions.	Chemistry (Weinheim an der Bergstrasse, Germany) 20110919

Properties