3,4-Dimethoxybenzamidoxime

CAT: 0926-QBA31216Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-QBA31216Size:2.5 g

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CAS Number

40312-16-1

MDL Number

MFCD06147747

Smiles

COC1=C (C=C (C=C1) /C (=N\O) /N) OC

Molecular Formula

C9H12N2O3

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

CID 4961841

CAS Number	40312-16-1
PubChem CID	4961841
IUPAC Name	N'-hydroxy-3,4-dimethoxybenzenecarboximidamide
Molecular Formula	C9H12N2O3
Molecular Weight	196.20
XLogP	1.2
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	208

SMILES

COC1=C(C=C(C=C1)C(=NO)N)OC

InChI

InChI=1S/C9H12N2O3/c1-13-7-4-3-6(9(10)11-12)5-8(7)14-2/h3-5,12H,1-2H3,(H2,10,11)

InChIKey

REKFOHFJHBBXOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40312-16-1

CID: 4961841

Formula: C9H12N2O3

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.08479225
Monoisotopic Mass	196.08479225
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208
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
FD67084	2,4-Dimethoxybenzaldoxime
FD69976-01	2,3-Dimethoxybenzaldoxime
PAA04709	3,3,4,4-Tetrachloroazobenzene
FT180033-01	3,3',4,4'-Tetrachlorobiphenyl
FT146374	3,3'4,4'-Tetrabromobiphenyl
FT168976-01	3,3',4,4'-Tetrachlorocarbanilide
WAA23247	3,3,4,4-Tetrachloroazoxybenzene
FD69918-01	3,3'-Dichloro-4,4'-dihydroxystilbene
FD132685-01	3,3'-Dinitrobiphenyl-4,4'-diamine
FD183754	3,4-Diethylhexane-3,4-diol