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Ethyl nitroacetate

CAT: 0926-FE11189-04Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FE11189-04Size:1 Kg
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CAS Number
626-35-7
MDL Number
MFCD00007403
Smiles
CCOC (=O) C[N+] (=O) [O-]
Molecular Formula
C4H7NO4
Molecular Weight
133.1 g/mol
Controlled
No

Chemical Information

Ethyl nitroacetate

RN given refers to parent cpd

CAS Number626-35-7
PubChem CID69379
IUPAC Nameethyl 2-nitroacetate
Molecular FormulaC4H7NO4
Molecular Weight133.10
XLogP0.5
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity116
SMILES
CCOC(=O)C[N+](=O)[O-]
InChI
InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
InChIKey
FTKASJMIPSSXBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl nitroacetate
CAS: 626-35-7
CID: 69379
Formula: C4H7NO4
MW: 133.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.10
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass133.03750770
Monoisotopic Mass133.03750770
Topological Polar Surface Area72.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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