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4,4'-Dimethylbenzoin

CAT: 0024-sc-485684Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485684Size:5 g
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CAS Number
1218-89-9

Chemical Information

4,4'-Dimethylbenzoin
CAS Number1218-89-9
PubChem CID224848
IUPAC Name2-hydroxy-1,2-bis(4-methylphenyl)ethanone
Molecular FormulaC16H16O2
Molecular Weight240.30
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity271
SMILES
CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)O
InChI
InChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3
InChIKey
NBYSFWKNMLCZLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dimethylbenzoin
CAS: 1218-89-9
CID: 224848
Formula: C16H16O2
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass240.115029749
Monoisotopic Mass240.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FD70354-014,4'-Dimethylbenzoin
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1001790-014,4',4'',4'''-Silanetetrayltetrabenzoic acid

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