Dimethyl 2-aminomalonate

CAT: 0127-OR22760-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR22760-01Size:50 mg

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CAS Number

53704-09-9

MDL Number

MFCD00829425

Purity

90%

Smiles

COC(=O)C(N)C(=O)OC

Chemical Information

Dimethyl aminomalonate hydrochloride

CAS Number	53704-09-9
PubChem CID	437601
IUPAC Name	dimethyl 2-aminopropanedioate
Molecular Formula	C5H9NO4
Molecular Weight	147.13
XLogP	-0.7
Topological Polar Surface Area	78.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

COC(=O)C(C(=O)OC)N

InChI

InChI=1S/C5H9NO4/c1-9-4(7)3(6)5(8)10-2/h3H,6H2,1-2H3

InChIKey

MHDFJESNGMDHQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53704-09-9

CID: 437601

Formula: C5H9NO4

MW: 147.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.13
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	147.05315777
Monoisotopic Mass	147.05315777
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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
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