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1243440-61-0 | 5-Oxazolecarboxylic acid, 4-methyl-2-(4-nitrophenyl)-
CAS No: 1243440-61-0 Catalog No: AG000LWK MDL No:
Product Description
Catalog Number:
AG000LWK
Chemical Name:
5-Oxazolecarboxylic acid, 4-methyl-2-(4-nitrophenyl)-
CAS Number:
1243440-61-0
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
IUPAC Name:
4-methyl-2-(4-nitrophenyl)-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H8N2O5/c1-6-9(11(14)15)18-10(12-6)7-2-4-8(5-3-7)13(16)17/h2-5H,1H3,(H,14,15)
InChI Key:
XFNBEWPOCVXOFL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc(c(o1)C(=O)O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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