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Home > Nitro Compounds > 71516-01-3
71516-01-3 | Propanamide, N-(3-cyano-4-nitrophenyl)-2-hydroxy-2-methyl-
CAS No: 71516-01-3 Catalog No: AG005T2C MDL No:
Product Description
Catalog Number:
AG005T2C
Chemical Name:
Propanamide, N-(3-cyano-4-nitrophenyl)-2-hydroxy-2-methyl-
CAS Number:
71516-01-3
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
N-(3-cyano-4-nitrophenyl)-2-hydroxy-2-methylpropanamide
InChI:
InChI=1S/C11H11N3O4/c1-11(2,16)10(15)13-8-3-4-9(14(17)18)7(5-8)6-12/h3-5,16H,1-2H3,(H,13,15)
InChI Key:
VENUTBBZESCAOE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[N+](=O)[O-])NC(=O)C(O)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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