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2483-57-0 | Acetic acid, 2-nitro-, methyl ester
CAS No: 2483-57-0 Catalog No: AG002PLP MDL No:MFCD00075480
Product Description
Catalog Number:
AG002PLP
Chemical Name:
Acetic acid, 2-nitro-, methyl ester
CAS Number:
2483-57-0
Molecular Formula:
C3H5NO4
Molecular Weight:
119.0761
MDL Number:
MFCD00075480
IUPAC Name:
methyl 2-nitroacetate
InChI:
InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
InChI Key:
ALBSWLMUHHZLLR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(=O)OC
EC Number:
219-622-0
NSC Number:
16153
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.022g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.076g/mol
Monoisotopic Mass:
119.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Catalytic intermolecular allylic C-H alkylation. | Journal of the American Chemical Society 20081029 |
| Expedient synthesis of cyclopropane alpha-amino acids by the catalytic asymmetric cyclopropanation of alkenes using iodonium ylides derived from methyl nitroacetate. | Journal of the American Chemical Society 20051228 |
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