Di-m-tolylmethanone

CAT: 0127-OR1073139-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1073139-01Size:100 mg

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CAS Number

2852-68-8

MDL Number

MFCD04147203

Purity

95%

Smiles

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

Chemical Information

Bis(3-methylphenyl)methanone

CAS Number	2852-68-8
PubChem CID	17848
IUPAC Name	bis(3-methylphenyl)methanone
Molecular Formula	C15H14O
Molecular Weight	210.27
XLogP	4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	222

SMILES

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

InChI

InChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3

InChIKey

CGXDIDXEMHMPIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2852-68-8

CID: 17848

Formula: C15H14O

MW: 210.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.27
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	210.104465066
Monoisotopic Mass	210.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	222
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

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