4-methyl-2-propoxy-Benzaldehyde

CAT: 0127-OR1084517-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084517-01Size:250 mg

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CAS Number

154478-30-5

Purity

95%

Smiles

O (CCC) c1c (C=O) ccc (C) c1

Chemical Information

Benzaldehyde, 4-methyl-2-propoxy-

CAS Number	154478-30-5
PubChem CID	154013195
IUPAC Name	4-methyl-2-propoxybenzaldehyde
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

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

InChI

InChI=1S/C11H14O2/c1-3-6-13-11-7-9(2)4-5-10(11)8-12/h4-5,7-8H,3,6H2,1-2H3

InChIKey

YLFNNJFEFXZEFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154478-30-5

CID: 154013195

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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
PC1021412-01	2-Propoxy-4- (trifluoromethyl) benzaldehyde
OR1006948-01	4-{2,2-Bis[ (4-formylphenoxy) methyl]-3- (4-formylphenoxy) propoxy}benzaldehyde
PC1022166-01	4-propoxy-3- (trifluoromethyl) benzaldehyde
OR1003429-01	4-[3- (Dimethylamino) propoxy]benzaldehyde
PC510040	2-Propoxy-5- (trifluoromethyl) benzaldehyde
OR12030-01	4-{3-[4- (Benzyloxy) phenoxy]propoxy}benzaldehyde
PC1017334	Methyl 2-propoxy-4- (trifluoromethyl) benzoate
OR12029-01	3-{3-[4- (Benzyloxy) phenoxy]propoxy}benzaldehyde
OR1036649	4- (2-Hydroxy-3- (isopropylamino) propoxy) benzaldehyde (Bisoprolol Impurity)
OR1095271	2-Methyl-4- (methylsulfanyl) benzaldehyde

Catalog	Name
916010	4‐PROPOXY BENZALDEHYDE
sc-274872	2-Hydroxy-4-propoxy-benzaldehyde
sc-349718	4-propoxy-2- (pyridin-2-ylmethoxy) benzaldehyde
sc-232349	4-[3- (Dimethylamino) propoxy]benzaldehyde
sc-312890	3-Diethylaminomethyl-4-propoxy-benzaldehyde
sc-312904	3-Dimethylaminomethyl-4-propoxy-benzaldehyde
sc-305240	2- (3-Morpholin-4-yl-propoxy) -benzaldehyde
sc-313218	3-Methoxy-2-propoxy-benzaldehyde
sc-312905	3-Dimethylaminomethyl-4-propoxy-benzaldehyde hydrochloride
sc-347046A	3-Methoxy-4-propoxy-benzaldehyde oxime