5-Ethoxy-2,4-dimethylbenzaldehyde

CAT: 0127-OR1088460-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088460-01Size:250 mg

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CAS Number

2386184-89-8

MDL Number

MFCD34757389

Purity

97%

Smiles

C1 (c (cc (c (c1) OCC) C) C) C=O

Chemical Information

5-Ethoxy-2,4-dimethylbenzaldehyde

CAS Number	2386184-89-8
PubChem CID	177686576
IUPAC Name	5-ethoxy-2,4-dimethylbenzaldehyde
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	167

SMILES

CCOC1=C(C=C(C(=C1)C=O)C)C

InChI

InChI=1S/C11H14O2/c1-4-13-11-6-10(7-12)8(2)5-9(11)3/h5-7H,4H2,1-3H3

InChIKey

GWZZVGYQKODXSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2386184-89-8

CID: 177686576

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167
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
OR1083852-01	4-Ethoxy-2,5-dimethylbenzaldehyde
OR1094632-01	2-Ethoxy-4,5-dimethylbenzaldehyde
OR1098637	4-Ethoxy-3,5-dimethylbenzaldehyde
OR1098693	2-Ethoxy-3,5-dimethylbenzaldehyde
OR1094364	4-ethoxy-2,6-dimethylbenzaldehyde
OR1083854-01	4- (Benzyloxy) -2,5-dimethylbenzaldehyde
PC1012722	2-fluoro-4,5-dimethylbenzaldehyde
OR1097276-01	2-Benzyloxy-4,5-dimethylbenzaldehyde
OR1094439	4-Chloro-2,5-dimethylbenzaldehyde
OR1092628-01	5-Methoxy-2,4-dimethylbenzaldehyde

Catalog	Name
sc-316286	4-Ethoxy-2,6-dimethylbenzaldehyde
EEC96030-01	2- (Difluoromethoxy) -4,5-dimethylbenzaldehyde
LDA58231-01	2-Methoxy-4,5-dimethylbenzaldehyde
JH169323	2-hydroxy-4,5-dimethylbenzaldehyde
BKD16154-01	4-Iodo-2,5-dimethylbenzaldehyde
432616-01	4-Hydroxy-2,5-dimethylbenzaldehyde
NDA11174	4-Bromo-2,5-dimethylbenzaldehyde
FD61423-01	2,5-Dimethylbenzaldehyde
sc-256350	2,5-Dimethylbenzaldehyde-2,4-DNPH
FD29084-01	2,4-Dimethylbenzaldehyde