Name: Name:Benzoic acid,4-(1,1-dimethylethyl)-, anhydride with 4-(1,1-dimethylethyl)benzoic acid
Brand: Angene
SKU: AG007P81
Rating: 90 (10 reviews)

Benzoic acid,4-(1,1-dimethylethyl)-, anhydride with 4-(1,1-dimethylethyl)benzoic acid

CAS No.:

22201-45-2

Catalog Number:

AG007P81

Molecular Formula:

C22H26O3

Molecular Weight:

338.4400

Catalog Number:

AG007P81

Chemical Name:

Benzoic acid,4-(1,1-dimethylethyl)-, anhydride with 4-(1,1-dimethylethyl)benzoic acid

CAS Number:

22201-45-2

Molecular Formula:

C22H26O3

Molecular Weight:

338.4400

MDL Number:

MFCD09757530

IUPAC Name:

(4-tert-butylbenzoyl) 4-tert-butylbenzoate

InChI:

InChI=1S/C22H26O3/c1-21(2,3)17-11-7-15(8-12-17)19(23)25-20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3

InChI Key:

KKDPRVYYZZUPLR-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)C(C)(C)C)OC(=O)c1ccc(cc1)C(C)(C)C

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.188g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.447g/mol

Monoisotopic Mass:

338.188g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.6