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Home > Nitro Compounds > 189572-00-7
189572-00-7 | Oxetane, 3-(2-nitrophenyl)-
CAS No: 189572-00-7 Catalog No: AG002DRC MDL No:
Product Description
Catalog Number:
AG002DRC
Chemical Name:
Oxetane, 3-(2-nitrophenyl)-
CAS Number:
189572-00-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
3-(2-nitrophenyl)oxetane
InChI:
InChI=1S/C9H9NO3/c11-10(12)9-4-2-1-3-8(9)7-5-13-6-7/h1-4,7H,5-6H2
InChI Key:
GCGSVEGHJAVUGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1COC1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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