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Home > Nitro Compounds > 821765-23-5
821765-23-5 | Oxiranecarboxamide, N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methyl-
CAS No: 821765-23-5 Catalog No: AG0059WL MDL No:
Product Description
Catalog Number:
AG0059WL
Chemical Name:
Oxiranecarboxamide, N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methyl-
CAS Number:
821765-23-5
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
N-[3-(hydroxymethyl)-4-nitrophenyl]-2-methyloxirane-2-carboxamide
InChI:
InChI=1S/C11H12N2O5/c1-11(6-18-11)10(15)12-8-2-3-9(13(16)17)7(4-8)5-14/h2-4,14H,5-6H2,1H3,(H,12,15)
InChI Key:
HMWNETVXCBMBTK-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1[N+](=O)[O-])NC(=O)C1(C)CO1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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