3-Methylbenzamide oxime

CAT: 0926-QBA06782Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-QBA06782Size:5 g

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CAS Number

40067-82-1

MDL Number

MFCD00655170

Smiles

CC1=CC (=CC=C1) /C (=N\O) /N

Molecular Formula

C8H10N2O

Molecular Weight

150.18 g/mol

Controlled

Chemical Information

3-Methylbenzamidoxime

CAS Number	40067-82-1
PubChem CID	9580378
IUPAC Name	N'-hydroxy-3-methylbenzenecarboximidamide
Molecular Formula	C8H10N2O
Molecular Weight	150.18
XLogP	1.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	156

SMILES

CC1=CC(=CC=C1)/C(=N/O)/N

InChI

InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)

InChIKey

KJMNPGUHEUTHMR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40067-82-1

CID: 9580378

Formula: C8H10N2O

MW: 150.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.18
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.079312947
Monoisotopic Mass	150.079312947
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
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
FM37057-01	3-Methylbenzamide
UWB51689-01	3-Amino-5-methylbenzamide
BAA88532	2-Amino-3-methylbenzamide
CFA20142-01	3- (Dimethylamino) -N-methylbenzamide
IHA73965-01	3-Formyl-N-methylbenzamide
QVA13151-01	3- (Aminomethyl) -N-methylbenzamide
QDA43401	3-Iodo-N-methylbenzamide
FA67521-01	4-Amino-3-methylbenzamide
BBA81907-01	N-Ethyl-3-methylbenzamide
ZPA88930	3-amino-2-methylbenzamide

Catalog	Name
sc-205112A	3-Methylbenzamide oxime
sc-254705	4-Methylbenzamide oxime
sc-281355	3-Fluoro-4-methylbenzamide oxime
B6865-10	Indirubin-3'-oxime
555618	Indirubin-3â€™-oxime
280424-01	3-Indolaldehyde oxime
sc-313122	3-Hydroxybenzaldehyde oxime
sc-266604	3-Chlorobenzamide oxime
OR300707-01	3-Methoxybenzaldehyde oxime
sc-347235	3-phenoxybenzaldehyde oxime