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2487-26-5 | Butanoic acid, 2-nitrophenyl ester
CAS No: 2487-26-5 Catalog No: AG002PPW MDL No:MFCD00036217
Product Description
Catalog Number:
AG002PPW
Chemical Name:
Butanoic acid, 2-nitrophenyl ester
CAS Number:
2487-26-5
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00036217
IUPAC Name:
(2-nitrophenyl) butanoate
InChI:
InChI=1S/C10H11NO4/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14/h3-4,6-7H,2,5H2,1H3
InChI Key:
DMBLCROMMOZRCN-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccccc1[N+](=O)[O-]
EC Number:
219-635-1
NSC Number:
404406
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Kinetic studies and predictions on the hydrolysis and aminolysis of esters of 2-S-phosphorylacetates. | Beilstein journal of organic chemistry 20100101 |
| Effects of mutations of active site residues and amino acids interacting with the Omega loop on substrate activation of butyrylcholinesterase. | Biochimica et biophysica acta 20010112 |
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