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30095-98-8 | Methyl 2-(2-nitrophenyl)acetate
CAS No: 30095-98-8 Catalog No: AG003RID MDL No:MFCD00968465
Product Description
Catalog Number:
AG003RID
Chemical Name:
Methyl 2-(2-nitrophenyl)acetate
CAS Number:
30095-98-8
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00968465
IUPAC Name:
methyl 2-(2-nitrophenyl)acetate
InChI:
InChI=1S/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
InChI Key:
SWMFAAPTSMVULA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Diastereoselective synthesis of substituted tetrahydroquinoline-4-carboxylic esters by a tandem reduction-reductive amination reaction. | The Journal of organic chemistry 20010420 |
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