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Home > Nitro Compounds > 87149-76-6
87149-76-6 | Isoxazole, 3-(2,2-dimethoxyethyl)-4-nitro-
CAS No: 87149-76-6 Catalog No: AG004TA7 MDL No:
Product Description
Catalog Number:
AG004TA7
Chemical Name:
Isoxazole, 3-(2,2-dimethoxyethyl)-4-nitro-
CAS Number:
87149-76-6
Molecular Formula:
C7H10N2O5
Molecular Weight:
202.1647
IUPAC Name:
3-(2,2-dimethoxyethyl)-4-nitro-1,2-oxazole
InChI:
InChI=1S/C7H10N2O5/c1-12-7(13-2)3-5-6(9(10)11)4-14-8-5/h4,7H,3H2,1-2H3
InChI Key:
IZBCWXMBWRDFFD-UHFFFAOYSA-N
SMILES:
COC(Cc1nocc1[N+](=O)[O-])OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.166g/mol
Monoisotopic Mass:
202.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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