3-Ethoxy-4- (hexyloxy) benzaldehyde

CAT: 0127-OR1068502-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1068502-01Size:100 mg

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CAS Number

339074-51-0

MDL Number

MFCD09718759

Purity

98%

Smiles

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

Chemical Information

3-Ethoxy-4-hexoxy-benzaldehyde

CAS Number	339074-51-0
PubChem CID	5234810
IUPAC Name	3-ethoxy-4-hexoxybenzaldehyde
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	4.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	18
Formal Charge	0
Complexity	218

SMILES

CCCCCCOC1=C(C=C(C=C1)C=O)OCC

InChI

InChI=1S/C15H22O3/c1-3-5-6-7-10-18-14-9-8-13(12-16)11-15(14)17-4-2/h8-9,11-12H,3-7,10H2,1-2H3

InChIKey

UKYSGFDCRKZKPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 339074-51-0

CID: 5234810

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	218
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
OR80417-01	4- (Hexyloxy) benzaldehyde
OR1088571	3- (hexyloxy) benzaldehyde
PC1022765	2,3-Difluoro-4- (hexyloxy) benzaldehyde
OR1009828-01	2- (Hexyloxy) Benzaldehyde
PC1008771-01	3-Ethoxy-4- (trifluoromethoxy) benzaldehyde
PC1022291-01	3-Ethoxy-4- (trifluoromethyl) benzaldehyde
OR928147-01	4-ethoxy-3- (hydroxymethyl) benzaldehyde
PC302333-01	4-Ethoxy-3- (trifluoromethyl) benzaldehyde
PC1010841-01	4-ethoxy-3- (trifluoromethoxy) benzaldehyde
OR1010977-01	3-Ethoxy-4- (3-mEthoxypropoxy) Benzaldehyde

Catalog	Name
sc-232280	4- (Hexyloxy) benzaldehyde
ZAA08309-01	3- (Hexyloxy) benzaldehyde
sc-277407	4-Hexyloxy-3-methoxy-benzaldehyde
sc-346875	3-Ethoxy-4-[2- (4-ethoxy-phenoxy) -ethoxy]-benzaldehyde
sc-276220	3-Ethoxy-4-isobutoxy-benzaldehyde
CEB70475-01	3-Ethoxy-4- (heptyloxy) benzaldehyde
275757-01	4-Ethoxy-3- (hydroxymethyl) benzaldehyde
sc-316261	4-Difluoromethoxy-3-ethoxy-benzaldehyde
sc-312898	3-Dimethylaminomethyl-4-ethoxy-benzaldehyde
sc-316244	4-Cyclopentyloxy-3-ethoxy-benzaldehyde