4-Acetyl-2,6-dimethoxybenzaldehyde

CAT: 0127-OR1088455-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088455-01Size:250 mg

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CAS Number

2386045-99-2

MDL Number

MFCD34765962

Purity

97%

Smiles

C1c (cc (c (c1OC) C=O) OC) C (=O) C

Chemical Information

4-Acetyl-2,6-dimethoxybenzaldehyde

CAS Number	2386045-99-2
PubChem CID	23531935
IUPAC Name	4-acetyl-2,6-dimethoxybenzaldehyde
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

CC(=O)C1=CC(=C(C(=C1)OC)C=O)OC

InChI

InChI=1S/C11H12O4/c1-7(13)8-4-10(14-2)9(6-12)11(5-8)15-3/h4-6H,1-3H3

InChIKey

PSEPBSLTNZTDTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2386045-99-2

CID: 23531935

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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
OR1068119-01	2-Chloro-4,6-dimethoxybenzaldehyde
OR1096981	4-Chloro-2,6-dimethoxybenzaldehyde
OR1085784	4-Iodo-2,6-dimethoxybenzaldehyde
OR350031-01	4-Bromo-2,6-dimethoxybenzaldehyde
OR470723-01	2-Bromo-4,6-dimethoxybenzaldehyde
OR24023-01	2,6-Dimethoxybenzaldehyde
OR28682-01	2,4-Dimethoxybenzaldehyde
PC1012900-01	6-Bromo-2-fluoro-3,4-dimethoxybenzaldehyde
OR1093993-01	3-hydroxy-2,6-dimethoxybenzaldehyde
OR1081105	3-Iodo-2,6-dimethoxybenzaldehyde

Catalog	Name
HDA47761	2-Chloro-4,6-dimethoxybenzaldehyde
414003-01	2- (Benzoyloxy) -4,6-dimethoxybenzaldehyde
GDA57469	2-Bromo-4,6-dimethoxybenzaldehyde
EEC05038-01	4-Bromo-2,6-dimethoxybenzaldehyde
B208360	2-(Benzoyloxy)-4,6-dimethoxybenzaldehyde
abx183600-01	4-Hydroxy-2,6-dimethoxybenzaldehyde
HY-W001249-01	2,6-Dimethoxybenzaldehyde
270807-01	2,4-Dimethoxybenzaldehyde
sc-506269A	2,6-Dichloro-3,4-dimethoxybenzaldehyde
5392-10-9	6-Brom-3,4-dimethoxybenzaldehyde