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Home > Nitro Compounds > 821765-22-4
821765-22-4 | 2-Propenamide, N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methyl-
CAS No: 821765-22-4 Catalog No: AG0050ZE MDL No:
Product Description
Catalog Number:
AG0050ZE
Chemical Name:
2-Propenamide, N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methyl-
CAS Number:
821765-22-4
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methylprop-2-enamide
InChI:
InChI=1S/C11H12N2O4/c1-7(2)11(15)12-9-3-4-10(13(16)17)8(5-9)6-14/h3-5,14H,1,6H2,2H3,(H,12,15)
InChI Key:
HNGBSUKLRQXBPH-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1[N+](=O)[O-])NC(=O)C(=C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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