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1232028-11-3 | 3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-
CAS No: 1232028-11-3 Catalog No: AG000K5W MDL No:MFCD17179148
Product Description
Catalog Number:
AG000K5W
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-
CAS Number:
1232028-11-3
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
MDL Number:
MFCD17179148
IUPAC Name:
5-(2-nitrophenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H6N2O5/c13-10(14)7-5-9(17-11-7)6-3-1-2-4-8(6)12(15)16/h1-5H,(H,13,14)
InChI Key:
MMLOMUSIMLNSCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1onc(c1)C(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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