CAS 20386-33-8 | Methanone, (2,3,4,5,6-pentamethylphenyl)phenyl- | CAS Number 20386-33-8

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20386-33-8 | Methanone, (2,3,4,5,6-pentamethylphenyl)phenyl-

CAS No: 20386-33-8 Catalog No: AG002962 MDL No:MFCD00051595

Product Description

Catalog Number:

AG002962

Chemical Name:

Methanone, (2,3,4,5,6-pentamethylphenyl)phenyl-

CAS Number:

20386-33-8

Molecular Formula:

C18H20O

Molecular Weight:

252.3508

MDL Number:

MFCD00051595

IUPAC Name:

(2,3,4,5,6-pentamethylphenyl)-phenylmethanone

InChI:

InChI=1S/C18H20O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10H,1-5H3

InChI Key:

JFFVBXWGARSRSC-UHFFFAOYSA-N

SMILES:

O=C(c1c(C)c(C)c(c(c1C)C)C)c1ccccc1

Properties

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.357g/mol

Monoisotopic Mass:

252.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

Title	Journal
Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone.	Acta crystallographica. Section C, Crystal structure communications 20100101