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Home > Nitro Compounds > 137213-91-3
137213-91-3 | Acetamide, N-[trans-4-(nitrooxy)cyclohexyl]-
CAS No: 137213-91-3 Catalog No: AG0012YJ MDL No:
Product Description
Catalog Number:
AG0012YJ
Chemical Name:
Acetamide, N-[trans-4-(nitrooxy)cyclohexyl]-
CAS Number:
137213-91-3
Molecular Formula:
C8H14N2O4
Molecular Weight:
202.2078
IUPAC Name:
(4-acetamidocyclohexyl) nitrate
InChI:
InChI=1S/C8H14N2O4/c1-6(11)9-7-2-4-8(5-3-7)14-10(12)13/h7-8H,2-5H2,1H3,(H,9,11)
InChI Key:
ZGGZZKIXIOEJCM-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@@H]1CC[C@H](CC1)O[N+](=O)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.21g/mol
Monoisotopic Mass:
202.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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