4-methoxy-3-propoxybenzaldehyde

CAT: 0024-sc-277466Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-277466Size:1 g

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CAS Number

5922-56-5

Chemical Information

4-Methoxy-3-propoxybenzaldehyde

CAS Number	5922-56-5
PubChem CID	592109
IUPAC Name	4-methoxy-3-propoxybenzaldehyde
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	170

SMILES

CCCOC1=C(C=CC(=C1)C=O)OC

InChI

InChI=1S/C11H14O3/c1-3-6-14-11-7-9(8-12)4-5-10(11)13-2/h4-5,7-8H,3,6H2,1-2H3

InChIKey

OQGTYVGUCWWYNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5922-56-5

CID: 592109

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	170
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
sc-276290	3-Methoxy-4-n-propoxybenzaldehyde
sc-346687A	3-chloro-5-methoxy-4-propoxybenzaldehyde
sc-346687	3-chloro-5-methoxy-4-propoxybenzaldehyde
sc-313219	3-Methoxy-2-propoxybenzaldehyde oxime
sc-307031	2-Bromo-5-methoxy-4-propoxybenzaldehyde
sc-283751	3-ethoxy-4-propoxybenzaldehyde
sc-479215A	3-Chloro-4-propoxybenzaldehyde
sc-479215	3-Chloro-4-propoxybenzaldehyde
sc-283844	3-propoxybenzaldehyde
sc-472155	3- (Hydroxymethyl) -4-propoxybenzaldehyde

Catalog	Name
426259-01	3-Methoxy-4-propoxybenzaldehyde
OR84217-01	(E) -3-methoxy-4-propoxybenzaldehyde oxime
GEA33189-01	3-Iodo-5-methoxy-4-propoxybenzaldehyde
OR1096232	3-bromo-5-methoxy-4-propoxybenzaldehyde
PC1018317-01	3-Fluoro-2-methoxy-4-propoxybenzaldehyde
OR84952	3-Chloro-5-methoxy-4-propoxybenzaldehyde
OR1095760	3-Methoxy-2-propoxybenzaldehyde
HIB67776	2-Chloro-5-methoxy-4-propoxybenzaldehyde
280082-01	3- (Hydroxymethyl) -4-propoxybenzaldehyde
OR1094034	3-Methyl-4-propoxybenzaldehyde