(4-Methylphenyl) phenylethanedione

CAT: 0127-OR1031896-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1031896-01Size:250 mg

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CAS Number

2431-00-7

Purity

98%

Smiles

O=C(C1=CC=C(C)C=C1)C(C2=CC=CC=C2)=O

Chemical Information

p-Methylbenzil

CAS Number	2431-00-7
PubChem CID	75511
IUPAC Name	1-(4-methylphenyl)-2-phenylethane-1,2-dione
Molecular Formula	C15H12O2
Molecular Weight	224.25
XLogP	3.7
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	281

SMILES

CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

QKFICTUTRIMBEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2431-00-7

CID: 75511

Formula: C15H12O2

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.083729621
Monoisotopic Mass	224.083729621
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1040766-01	4- (4-Methylphenyl) pyrimidine
OR965671-01	4- (4-Methylphenyl) piperidine
OR1083763	(4-Methylphenyl) -4-pyridinylmethanone
OR1040396-01	4-Methylphenyl 4-methylbenzenesulfonate
OR1038865-01	4- (4-Methylphenyl) sulfonylmorpholine
OR1023830	4- (4-Methylphenyl) Cyclohexanone
OR1003438-01	(4-Methylphenyl) acetaldehyde
PC500030-01	4-Methylphenyl trifluoromethanesulphonate
OR30196-01	4-Methylphenyl isothiocyanate
PC450039	4-Methylphenyl fluorosulfonate

Catalog	Name
FH HL 0188-01	4-methyl-N- (4-methylphenyl) -N- (4-methylphenyl) sulfonylbenzenesulfonamide
sc-232248	4- (4-Methylphenyl) benzaldehyde
284322-01	4-Methylphenyl 4-Chlorobutanoate
FH 1G 0A18-01	4- (4-methylphenyl) sulfanylaniline
sc-267110	4- (4-Methylphenyl) piperidine
sc-277533	(4-Methylphenyl) acetaldehyde
sc-232890	4-Methylphenyl benzoate
GTR19272662-01	4-Methylphenyl Octanoate
FH 1L 0063-01	(4-methylphenyl) benzoate
FH HF 0188-01	(4-methylphenyl) -diphenylmethanol