2- (3-Methylphenyl) malondialdehyde

CAT: 0926-ZIB02124Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZIB02124Size:2.5 g

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CAS Number

849021-24-5

MDL Number

MFCD03426050

Smiles

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

Molecular Formula

C10H10O2

Molecular Weight

162.19 g/mol

Controlled

Chemical Information

2-(3-Methylphenyl)malondialdehyde

CAS Number	849021-24-5
PubChem CID	3856855
IUPAC Name	2-(3-methylphenyl)propanedial
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	1.4
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	157

SMILES

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

InChI

InChI=1S/C10H10O2/c1-8-3-2-4-9(5-8)10(6-11)7-12/h2-7,10H,1H3

InChIKey

XELVNYQHLUBJGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849021-24-5

CID: 3856855

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157
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
HJB50062-01	2- (3-Methoxyphenyl) malondialdehyde
RGB80962-01	2- (3-Bromophenyl) malondialdehyde
MIA75581-01	2- (3-Hydroxycarbonyl-6-pyridyl) malondialdehyde
QCA19228	2- (4-Methoxyphenyl) malondialdehyde
JDB64868	2- (4-Bromophenyl) malondialdehyde
DBA64878	2- (4-Pyrimidyl) malondialdehyde
TAA91553	2- (4-Nitrophenyl) malondialdehyde
BCA07646	2- (4-Pyridyl) malondialdehyde
FM64482-01	2- (3-Methylphenyl) ethanol
NBA37759-01	2- (3-Methylphenyl) -3-oxobutanenitrile

Catalog	Name
sc-259180A	2- (3-Methylphenyl) malondialdehyde
OR3325	2- (4-Methylphenyl) malondialdehyde
384956	Malondialdehyde (Malondialdehyde, MDA, Malondialdehyde (MDA), Malonic Aldehyde Propanedial, 1,3-Propanedial, Malonaldehyde)
sc-305266	2- (3-Trifluoromethylphenyl) malondialdehyde
OR7620-01	2- (3-Bromophenyl) malondialdehyde
OR7628-01	2- (3-Chlorophenyl) malondialdehyde
sc-305198	2- (3-Methoxyphenyl) malondialdehyde
sc-282562	2- (3-Chlorophenoxy) malondialdehyde
sc-305347	2- (3,5-Difluorophenyl) malondialdehyde
OR7636-01	2- (3,4-Dichlorophenyl) malondialdehyde