CAS 1014-60-4 | Benzene, 1,3-bis(1,1-dimethylethyl)- | CAS Number 1014-60-4

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1014-60-4 | Benzene, 1,3-bis(1,1-dimethylethyl)-

CAS No: 1014-60-4 Catalog No: AG0004EZ MDL No:MFCD00008830

Product Description

Catalog Number:

AG0004EZ

Chemical Name:

Benzene, 1,3-bis(1,1-dimethylethyl)-

CAS Number:

1014-60-4

Molecular Formula:

C14H22

Molecular Weight:

190.3245

MDL Number:

MFCD00008830

IUPAC Name:

1,3-ditert-butylbenzene

InChI:

InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3

InChI Key:

ILNDSSCEZZFNGE-UHFFFAOYSA-N

SMILES:

CC(c1cccc(c1)C(C)(C)C)(C)C

NSC Number:

243654

Properties

Complexity:

157

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.172g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.33g/mol

Monoisotopic Mass:

190.172g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8

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