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2531-80-8 | ETHYL 2-NITROPROPIONATE
CAS No: 2531-80-8 Catalog No: AG003Q53 MDL No:MFCD00024818
Product Description
Catalog Number:
AG003Q53
Chemical Name:
ETHYL 2-NITROPROPIONATE
CAS Number:
2531-80-8
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
MDL Number:
MFCD00024818
IUPAC Name:
ethyl 2-nitropropanoate
InChI:
InChI=1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3
InChI Key:
ZXBGJDZWJJFFQY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)OCC)C
NSC Number:
63896
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.13g/mol
Monoisotopic Mass:
147.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Structure reassignment and synthesis of Jenamidines A1/A2, synthesis of (+)-NP25302, and formal synthesis of SB-311009 analogues. | The Journal of organic chemistry 20061027 |
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