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126802-50-4 | Ethyl 2-methyl-2-(2-nitrophenyl) propanoate
CAS No: 126802-50-4 Catalog No: AG01FAWG MDL No:
Product Description
Catalog Number:
AG01FAWG
Chemical Name:
Ethyl 2-methyl-2-(2-nitrophenyl) propanoate
CAS Number:
126802-50-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
ethyl 2-methyl-2-(2-nitrophenyl)propanoate
InChI:
InChI=1S/C12H15NO4/c1-4-17-11(14)12(2,3)9-7-5-6-8-10(9)13(15)16/h5-8H,4H2,1-3H3
InChI Key:
DOPXTTBUVJTHCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1[N+](=O)[O-])(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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