3-Ethoxy-4-methoxybenzaldehyde

CAT: 0127-OR25717Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR25717Size:1 g

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CAS Number

1131-52-8

Synonyms

3-Ethoxy-p-anisaldehyde, 2-Ethoxy-4-formylanisole, 5-Formyl-2-methoxyphenetole

MDL Number

MFCD00010128

Purity

=95%

Smiles

CCOc1cc(C=O)ccc1OC

Chemical Information

3-Ethoxy-4-methoxybenzaldehyde

CAS Number	1131-52-8
PubChem CID	244728
IUPAC Name	3-ethoxy-4-methoxybenzaldehyde
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	1.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	158

SMILES

CCOC1=C(C=CC(=C1)C=O)OC

InChI

InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

InChIKey

VAMZHXWLGRQSJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1131-52-8

CID: 244728

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	158
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
OR912035-01	4-Ethoxy-3-methoxybenzaldehyde
OR1095445	2-Ethoxy-4-methoxybenzaldehyde
OR1092385	4-ethoxy-2-methoxybenzaldehyde
PC1016153-01	3-Ethoxy-5-fluoro-4-methoxybenzaldehyde
PC1016324-01	3-Ethoxy-2-fluoro-4-methoxybenzaldehyde
PC1016317-01	4-ethoxy-3-fluoro-5-methoxybenzaldehyde
OR1095791	3-Bromo-4-ethoxy-5-methoxybenzaldehyde
OR1095602	3-Bromo-5-ethoxy-4-methoxybenzaldehyde
PC1016197-01	2-Ethoxy-3-fluoro-4-methoxybenzaldehyde
OR1088464-01	3-Chloro-4-ethoxy-2-methoxybenzaldehyde

Catalog	Name
FE46457-01	3-Ethoxy-4-methoxybenzaldehyde
FE46006-01	4-Ethoxy-3-methoxybenzaldehyde
E03640	4-Ethoxy-3-Methoxybenzaldehyde 95%
HY-78485R-01	3-Ethoxy-4-methoxybenzaldehyde (Standard)
FE68088-01	2-Ethoxy-4-methoxybenzaldehyde
sc-276092	3-bromo-5-ethoxy-4-methoxybenzaldehyde
sc-312779	3-Chloro-4-ethoxy-5-methoxybenzaldehyde
sc-346679	3-chloro-5-ethoxy-4-methoxybenzaldehyde
DSA48380-01	3-Ethoxy-5-iodo-4-methoxybenzaldehyde
JQA85733-01	4-Ethoxy-3-iodo-5-methoxybenzaldehyde