2-Hydroxy-3-methoxybenzaldehyde oxime

CAT: 0024-sc-308054Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-308054Size:500 mg

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CAS Number

2169-99-5

Chemical Information

o-Vanillin oxime

CAS Number	2169-99-5
PubChem CID	135460299
IUPAC Name	2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1.1
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

COC1=CC=CC(=C1O)/C=N/O

InChI

InChI=1S/C8H9NO3/c1-12-7-4-2-3-6(5-9-11)8(7)10/h2-5,10-11H,1H3/b9-5+

InChIKey

GJDGYWVSQUBDDP-WEVVVXLNSA-N

Chemical Structure

2D Structure

CAS: 2169-99-5

CID: 135460299

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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
sc-307868	2-Ethoxy-3-methoxybenzaldehyde oxime
sc-490640	3-Hydroxy-2-methoxybenzaldehyde
sc-491287	3-Hydroxy-2-methoxybenzaldehyde-d3
sc-275812	3- (benzyloxy) -4-methoxybenzaldehyde oxime
sc-276829	4- (benzyloxy) -3-methoxybenzaldehyde oxime
sc-265728	2-Hydroxy-6-methoxybenzaldehyde
sc-238072A	2-Hydroxy-5-methoxybenzaldehyde
sc-318796	5-Hydroxy-2-methoxybenzaldehyde
sc-238072	2-Hydroxy-5-methoxybenzaldehyde
sc-210072	4-Hydroxy-2-methoxybenzaldehyde

Catalog	Name
OR1055321	4-Hydroxy-3-methoxybenzaldehyde oxime
FM67551-01	2-Methoxybenzaldehyde oxime
OR300707-01	3-Methoxybenzaldehyde oxime
DAA71721	4-Methoxybenzaldehyde oxime
VZB78275-01	4- (2,2-Difluoroethoxy) -3-methoxybenzaldehyde oxime
OR1083078-01	4-chloro-2-methoxybenzaldehyde oxime
YDA79936-01	4-Isopropoxy-3-methoxybenzaldehyde oxime
PC450199-01	4- (Difluoromethoxy) -3-methoxybenzaldehyde oxime
OR1027339-01	3-Ethoxy-4-Methoxybenzaldehyde Oxime
PC1015273-01	2,4-Difluoro-6-methoxybenzaldehyde oxime