3-Methoxybenzaldehyde oxime

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CAS Number

38489-80-4

Synonyms

(E/Z) -3-Methoxybenzaldehyde oxime

MDL Number

MFCD02256033

Purity

95%

Smiles

COc1cccc(\C=N\O)c1

Chemical Information

3-Methoxy-benzaldehyde oxime

CAS Number	38489-80-4
PubChem CID	9601243
IUPAC Name	(NE)-N-[(3-methoxyphenyl)methylidene]hydroxylamine
Molecular Formula	C8H9NO2
Molecular Weight	151.16
XLogP	1.6
Topological Polar Surface Area	41.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

COC1=CC=CC(=C1)/C=N/O

InChI

InChI=1S/C8H9NO2/c1-11-8-4-2-3-7(5-8)6-9-10/h2-6,10H,1H3/b9-6+

InChIKey

VDCBJAPSEUTPTQ-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 38489-80-4

CID: 9601243

Formula: C8H9NO2

MW: 151.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.16
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	151.063328530
Monoisotopic Mass	151.063328530
Topological Polar Surface Area	41.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
OR945338	2-Methoxybenzaldehyde oxime
OR1027339-01	3-Ethoxy-4-Methoxybenzaldehyde Oxime
OR1094447-01	(E) -3-bromo-5-methoxybenzaldehyde oxime
OR1083078-01	4-chloro-2-methoxybenzaldehyde oxime
OR1100000-01	(E) -3-bromo-5-chloro-2-methoxybenzaldehyde oxime
PC1015273-01	2,4-Difluoro-6-methoxybenzaldehyde oxime
PC1015274-01	2,4-Difluoro-5-methoxybenzaldehyde oxime
OR1095334-01	(E) -5-chloro-2-methoxybenzaldehyde oxime
OR0816-01	3-Methoxybenzaldehyde
OR1096466	2- (cyclopropylmethoxy) -3-methoxybenzaldehyde

Catalog	Name
DAA71721	4-Methoxybenzaldehyde oxime
FM67551-01	2-Methoxybenzaldehyde oxime
YDA79936-01	4-Isopropoxy-3-methoxybenzaldehyde oxime
sc-276829	4- (benzyloxy) -3-methoxybenzaldehyde oxime
sc-308054	2-Hydroxy-3-methoxybenzaldehyde oxime
sc-275812	3- (benzyloxy) -4-methoxybenzaldehyde oxime
sc-307868	2-Ethoxy-3-methoxybenzaldehyde oxime
IEB79608	4- (Difluoromethoxy) -3-methoxybenzaldehyde oxime
233310-01	4-Methoxybenzaldehyde Oxime ≥96% (HPLC)
VZB78275-01	4- (2,2-Difluoroethoxy) -3-methoxybenzaldehyde oxime