2,3-Dimethoxybenzaldoxime

CAT: 0926-FD69976-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FD69976-01Size:25 g

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CAS Number

5470-95-1

MDL Number

MFCD00033234

Smiles

COC1=CC=CC (=C1OC) /C=N/O

Molecular Formula

C9H11NO3

Molecular Weight

181.19 g/mol

Controlled

Chemical Information

Benzaldehyde, 2,3-dimethoxy-, oxime

CAS Number	5470-95-1
PubChem CID	95281
IUPAC Name	N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	1.6
Topological Polar Surface Area	51.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

COC1=CC=CC(=C1OC)C=NO

InChI

InChI=1S/C9H11NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-6,11H,1-2H3

InChIKey

GKAIQNACVNFHCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5470-95-1

CID: 95281

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	51.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD68019-01	2,6-Dimethoxybenzaldoxime
FD67084	2,4-Dimethoxybenzaldoxime
QBA31216	3,4-Dimethoxybenzamidoxime
FT66102-01	2,2',3,3'-Tetramethylazoxybenzene
FT28160-01	2,2,3,3-Tetramethoxybutane
NBA44493-01	2,2',3,3'-Tetrachlorobiphenyl
QEC80808-01	2,2,3,3-Tetrafluoropropyl 2,2-difluoroacetate
NAA25213	2,3,3,3-Tetrafluoro-2- (1,1,2,2,3,3,3-heptafluoropropoxy) propanoic acid
PRB91610-01	2- (2,2,3,3-Tetrafluoropropoxy) acetonitrile
ARB49574-01	2,2,3,3,3-Pentafluoropropyl carbonochloridate

Catalog	Name
sc-275281	2,3-Dimethoxybenzaldoxime
sc-266086	2,4-Dimethoxybenzaldoxime
PC450310	2,2,3,3,3-Pentafluoropropyl 2,2,3,3-tetrafluoropropyl carbonate
sc-260169	2,2,3,3,3-Pentafluoropropylamine
sc-260168	2,2,3,3,3-Pentafluoropropiophenone
sc-321959A	2,2,3,3,3-Pentafluoropropyltrifluoromethanesulfonate
PC3683-01	2- (2,2,3,3,3-Pentafluoropropoxymethyl) oxirane
PC4969	2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate
PC450297	2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate
PC31768-01	2,3,3,3-Tetrafluoro-2- (1,1,2,2,3,3,3-heptafluoropropoxy) propanamide