(E) -3-methoxy-4-propoxybenzaldehyde oxime

CAT: 0127-OR84217-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR84217-01Size:100 mg

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CAS Number

571920-77-9

MDL Number

MFCD02256108

Purity

95%

Smiles

CCCOC1=C(C=C(C=C1)/C=N/O)OC

Chemical Information

3-Methoxy-4-propoxybenzaldehyde oxime

CAS Number	571920-77-9
PubChem CID	6906241
IUPAC Name	(NE)-N-[(3-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
Molecular Formula	C11H15NO3
Molecular Weight	209.24
XLogP	2.5
Topological Polar Surface Area	51.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	196

SMILES

CCCOC1=C(C=C(C=C1)/C=N/O)OC

InChI

InChI=1S/C11H15NO3/c1-3-6-15-10-5-4-9(8-12-13)7-11(10)14-2/h4-5,7-8,13H,3,6H2,1-2H3/b12-8+

InChIKey

DBOQZEDKACZVMY-XYOKQWHBSA-N

Chemical Structure

2D Structure

CAS: 571920-77-9

CID: 6906241

Formula: C11H15NO3

MW: 209.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.24
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	209.10519334
Monoisotopic Mass	209.10519334
Topological Polar Surface Area	51.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1095765	3-Methoxy-4-propoxybenzaldehyde
PC1018317-01	3-Fluoro-2-methoxy-4-propoxybenzaldehyde
OR1096232	3-bromo-5-methoxy-4-propoxybenzaldehyde
OR84952	3-Chloro-5-methoxy-4-propoxybenzaldehyde
OR1095760	3-Methoxy-2-propoxybenzaldehyde
OR1094034	3-Methyl-4-propoxybenzaldehyde
OR346329-01	4-Methoxy-benzaldehyde oxime
PC1010876	4-fluoro-3-propoxybenzaldehyde
OR929438-01	3- (Hydroxymethyl) -4-propoxybenzaldehyde
OR1095473	3-Bromo-4-propoxybenzaldehyde

Catalog	Name
sc-313219	3-Methoxy-2-propoxybenzaldehyde oxime
sc-277468	4-Methoxy-benzaldehyde oxime
sc-277440	4-Isopropoxy-3-methoxy-benzaldehyde oxime
sc-277167	4-Butoxy-3-methoxy-benzaldehyde oxime
sc-347045A	3-Methoxy-4-pentyloxy-benzaldehyde oxime
sc-347046A	3-Methoxy-4-propoxy-benzaldehyde oxime
sc-349549A	4-Isobutoxy-3-methoxy-benzaldehyde oxime
sc-277353	4-Ethoxy-3-methoxy-benzaldehyde oxime
sc-349422A	4-Difluoromethoxy-3-methoxy-benzaldehyde oxime
sc-347966A	4- (4-Chloro-benzyloxy) -3-methoxy-benzaldehyde oxime