Name: Name:Benzoic acid,2-(2,3,4,5,6-pentamethylbenzoyl)-
Brand: Angene
SKU: AG007T53
Rating: 90 (10 reviews)

Benzoic acid,2-(2,3,4,5,6-pentamethylbenzoyl)-

CAS No.:

111385-66-1

Catalog Number:

AG007T53

Molecular Formula:

C19H20O3

Molecular Weight:

296.3603

Catalog Number:

AG007T53

Chemical Name:

Benzoic acid,2-(2,3,4,5,6-pentamethylbenzoyl)-

CAS Number:

111385-66-1

Molecular Formula:

C19H20O3

Molecular Weight:

296.3603

MDL Number:

MFCD00051629

IUPAC Name:

2-(2,3,4,5,6-pentamethylbenzoyl)benzoic acid

InChI:

InChI=1S/C19H20O3/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19(21)22/h6-9H,1-5H3,(H,21,22)

InChI Key:

DQCUMOMIHACOJZ-UHFFFAOYSA-N

SMILES:

O=C(c1c(C)c(C)c(c(c1C)C)C)c1ccccc1C(=O)O

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.366g/mol

Monoisotopic Mass:

296.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3