4-Hydroxy-3-methoxybenzaldehyde oxime

CAT: 0127-OR1055321Size: 1 gDry Ice: NoHazardous: No

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CAS Number

2874-33-1

MDL Number

MFCD00019965

Purity

97%

Smiles

OC1=CC=C(C=C1OC)/C=N/O

Chemical Information

(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime

CAS Number	2874-33-1
PubChem CID	135431232
IUPAC Name	4-[(E)-hydroxyiminomethyl]-2-methoxyphenol
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1.5
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=C(C=CC(=C1)/C=N/O)O

InChI

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

InChIKey

RJJVVYVLHWMYAA-WEVVVXLNSA-N

Chemical Structure

2D Structure

CAS: 2874-33-1

CID: 135431232

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1.5
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
PC450199-01	4- (Difluoromethoxy) -3-methoxybenzaldehyde oxime
OR300707-01	3-Methoxybenzaldehyde oxime
OR1027339-01	3-Ethoxy-4-Methoxybenzaldehyde Oxime
OR28774-01	3-Hydroxy-4-methoxybenzaldehyde
OR1083078-01	4-chloro-2-methoxybenzaldehyde oxime
OR945338	2-Methoxybenzaldehyde oxime
OR0913-01	2-Hydroxy-4-methoxybenzaldehyde
OR0857-01	4-Hydroxy-2-methoxybenzaldehyde
BUP19422	2-Hydroxy-4-methoxybenzaldehyde
PC1021961	2-Fluoro-4-hydroxy-3-methoxybenzaldehyde

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