Dimethyl 2- (hydroxyimino) malonate

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CAS Number

42937-74-6

Chemical Information

Dimethyl 2-(hydroxyimino)malonate

See also: Dimethyl (hydroxyimino)-malonate (annotation moved to).

CAS Number	42937-74-6
PubChem CID	6399477
IUPAC Name	dimethyl 2-hydroxyiminopropanedioate
Molecular Formula	C5H7NO5
Molecular Weight	161.11
XLogP	1.1
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	179

SMILES

COC(=O)C(=NO)C(=O)OC

InChI

InChI=1S/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h9H,1-2H3

InChIKey

GLFGXQYUPFIXJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42937-74-6

CID: 6399477

Formula: C5H7NO5

MW: 161.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.11
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	161.03242232
Monoisotopic Mass	161.03242232
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268930	Dimethyl 2,2-dimethyl-malonate
sc-239778	Dimethyl malonate
sc-239778A	Dimethyl malonate
sc-268923	Dimethyl (2-thienylmethyl) malonate
sc-300472A	Dimethyl 2- (2-nitrophenyl) malonate
sc-300472	Dimethyl 2- (2-nitrophenyl) malonate
sc-326838A	Dimethyl 2- (4-chlorophenoxy) malonate
sc-300475	Dimethyl 2- (4-nitrophenyl) malonate
sc-300475A	Dimethyl 2- (4-nitrophenyl) malonate
sc-326836A	Dimethyl 2- (4-aminophenyl) malonate

Catalog	Name
TRC-D482213-250MG	Diethyl (Hydroxyimino)malonate
AR-M03395-01	Diethyl 2- (hydroxyimino) malonate
13203-05	Dimethyl Malonate
104630 500	Dimethyl Malonate For Synthesis
AR-M03808-01	Dimethyl Malonate-13C3
HY-Y1787R-01	Dimethyl malonate (Standard)
TRC-D474592-50MG	Dimethyl Malonate-d2