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Home > Nitro Compounds > 73981-53-0
73981-53-0 | Acetamide,N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-oxo-, [R-(R*,R*)]-(9CI)
CAS No: 73981-53-0 Catalog No: AG005AG3 MDL No:
Product Description
Catalog Number:
AG005AG3
Chemical Name:
Acetamide,N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-oxo-, [R-(R*,R*)]-(9CI)
CAS Number:
73981-53-0
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-oxoacetamide
InChI:
InChI=1S/C11H12N2O6/c14-5-9(12-10(16)6-15)11(17)7-1-3-8(4-2-7)13(18)19/h1-4,6,9,11,14,17H,5H2,(H,12,16)/t9-,11-/m1/s1
InChI Key:
OFWAKPABWKIMSK-MWLCHTKSSA-N
SMILES:
OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C=O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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