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Home > Nitro Compounds > 88351-51-3
88351-51-3 | 2-Oxetanone, 4-methyl-4-(4-nitrophenyl)-
CAS No: 88351-51-3 Catalog No: AG0046UD MDL No:
Product Description
Catalog Number:
AG0046UD
Chemical Name:
2-Oxetanone, 4-methyl-4-(4-nitrophenyl)-
CAS Number:
88351-51-3
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
4-methyl-4-(4-nitrophenyl)oxetan-2-one
InChI:
InChI=1S/C10H9NO4/c1-10(6-9(12)15-10)7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3
InChI Key:
BEFDPGNNBRVGLP-UHFFFAOYSA-N
SMILES:
O=C1CC(O1)(C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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