CAS 1533-20-6 | 1,3-Diphenylbutan-1-one | CAS Number 1533-20-6

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1533-20-6 | 1,3-Diphenylbutan-1-one

CAS No: 1533-20-6 Catalog No: AG003DKW MDL No:

Product Description

Catalog Number:

AG003DKW

Chemical Name:

1,3-Diphenylbutan-1-one

CAS Number:

1533-20-6

Molecular Formula:

C16H16O

Molecular Weight:

224.2976

IUPAC Name:

1,3-diphenylbutan-1-one

InChI:

InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3

InChI Key:

GIVFXLVPKFXTCU-UHFFFAOYSA-N

SMILES:

CC(c1ccccc1)CC(=O)c1ccccc1

NSC Number:

401995

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.303g/mol

Monoisotopic Mass:

224.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

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