2- (2-Methylphenyl) -2-oxoacetaldehyde

CAT: 0127-OR1072696-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072696-01Size:100 mg

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CAS Number

63440-60-8

MDL Number

MFCD22565993

Purity

95%

Smiles

O=CC(C1=CC=CC=C1C)=O

Chemical Information

2-(2-Methylphenyl)-2-oxoacetaldehyde

CAS Number	63440-60-8
PubChem CID	278401
IUPAC Name	2-(2-methylphenyl)-2-oxoacetaldehyde
Molecular Formula	C9H8O2
Molecular Weight	148.16
XLogP	2.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

CC1=CC=CC=C1C(=O)C=O

InChI

InChI=1S/C9H8O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6H,1H3

InChIKey

ILRFLXHICGHRIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63440-60-8

CID: 278401

Formula: C9H8O2

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	148.052429494
Monoisotopic Mass	148.052429494
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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
OR1033713-01	2- (4-Bromophenyl) -2-oxoacetaldehyde
OR31016	2- (4-Chlorophenyl) -2-oxoacetaldehyde
PC109351-01	2- (4-Fluorophenyl) -2-oxoacetaldehyde
OR1072323-01	2- (Furan-2-yl) -2-oxoacetaldehyde
PC109266-01	2- (4-Fluorophenyl) -2-Oxoacetaldehyde Hydrate
OR74533-01	2- (3-Methoxyphenyl) -2-oxoacetaldehyde hydrate
OR78177-01	2- (4-Ethylphenyl) -2-oxoacetaldehyde hydrate
OR1026681-01	2- (Naphthalen-2-Yl) -2-Oxoacetaldehyde Hydrate
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OR1044686-01	2- ([1,1'-Biphenyl]-4-yl) -2-oxoacetaldehyde hydrate

Catalog	Name
GDA59326-01	2- (4-Fluoro-3-methylphenyl) -2-oxoacetaldehyde
FAA19529	2- (4-Bromophenyl) -2-oxoacetaldehyde
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WFA53500-01	2- (3,5-Difluorophenyl) -2-oxoacetaldehyde
AGA25125-01	2- (3,5-Dimethylphenyl) -2-oxoacetaldehyde
ICA95088-01	2-[4- (Methylsulfanyl) phenyl]-2-oxoacetaldehyde
abx180977-01	2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate
AR-I01874-01	2- (3,4-dihydroxyphenyl) -2-oxoacetaldehyde
HAA26972-01	2- (1H-Indol-3-yl) -2-oxoacetaldehyde
HCA67652-01	2- (2-Methylphenyl) acetohydrazide