4- (Hexyloxy) -3-methoxybenzaldehyde

CAT: 0127-OR2279-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR2279-01Size:1 g

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CAS Number

61096-84-2

MDL Number

MFCD00021080

Purity

=95%

Smiles

CCCCCCOc1ccc(C=O)cc1OC

Chemical Information

4-(Hexyloxy)-m-anisaldehyde

CAS Number	61096-84-2
PubChem CID	1563362
IUPAC Name	4-hexoxy-3-methoxybenzaldehyde
Molecular Formula	C14H20O3
Molecular Weight	236.31
XLogP	3.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	17
Formal Charge	0
Complexity	206

SMILES

CCCCCCOC1=C(C=C(C=C1)C=O)OC

InChI

InChI=1S/C14H20O3/c1-3-4-5-6-9-17-13-8-7-12(11-15)10-14(13)16-2/h7-8,10-11H,3-6,9H2,1-2H3

InChIKey

DYJXODUYQQLNDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61096-84-2

CID: 1563362

Formula: C14H20O3

MW: 236.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.31
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	236.14124450
Monoisotopic Mass	236.14124450
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	206
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
OR1068502-01	3-Ethoxy-4- (hexyloxy) benzaldehyde
OR1079102-01	4,4'-Bis (hexyloxy) -3-methylazobenzene
OR1023449-01	4- (Hexyloxy) Phthalonitrile
OR80417-01	4- (Hexyloxy) benzaldehyde
OR1011179-01	4- (Hexyloxy) Aniline
OR89825-01	4- (Hexyloxy) phenol
OR1079939-01	3-Benzyl-4-methoxybenzaldehyde
PC4939-01	4-Fluoro-3-methoxybenzaldehyde
OR1512-01	4- (Benzyloxy) -3-methoxybenzaldehyde
OR400628-01	4-Iodo-3-methoxybenzaldehyde

Catalog	Name
LCA09684	4- (Hexyloxy) -3-methoxybenzaldehyde
ZAA08309-01	3- (Hexyloxy) benzaldehyde
sc-313096	3-Hexyloxy-phenylamine
FDA17200-01	3-[ (Hexyloxy) methyl]aniline
sc-277407	4-Hexyloxy-3-methoxy-benzaldehyde
LGA29104-01	1-Bromo-3- (hexyloxy) benzene
sc-331322	N-Hexyl-3- (hexyloxy) aniline
sc-310280	3- (Hexyloxy) -N- (3-methylbenzyl) aniline
EDA29458-01	4- (Hexyloxy) -3-methoxybenzoic acid
sc-329617	N- (3-Ethoxybenzyl) -3- (hexyloxy) aniline