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Home > Nitro Compounds > 96914-18-0
96914-18-0 | 4-Methyl-3-nitro-4,5-dihydro-1,2-oxazole
CAS No: 96914-18-0 Catalog No: AG01F082 MDL No:
Product Description
Catalog Number:
AG01F082
Chemical Name:
4-Methyl-3-nitro-4,5-dihydro-1,2-oxazole
CAS Number:
96914-18-0
Molecular Formula:
C4H6N2O3
Molecular Weight:
130.1020
IUPAC Name:
4-methyl-3-nitro-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C4H6N2O3/c1-3-2-9-5-4(3)6(7)8/h3H,2H2,1H3
InChI Key:
HWGLFPAIPZCULH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=NOCC1C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.103g/mol
Monoisotopic Mass:
130.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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