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115459-65-9 | 2-Oxiranemethanol, 2-(4-nitrobenzoate), (2S)-
CAS No: 115459-65-9 Catalog No: AG000G05 MDL No:
Product Description
Catalog Number:
AG000G05
Chemical Name:
2-Oxiranemethanol, 2-(4-nitrobenzoate), (2S)-
CAS Number:
115459-65-9
IUPAC Name:
[(2S)-oxiran-2-yl]methyl 4-nitrobenzoate
InChI:
InChI=1S/C10H9NO5/c12-10(16-6-9-5-15-9)7-1-3-8(4-2-7)11(13)14/h1-4,9H,5-6H2/t9-/m0/s1
InChI Key:
MUWIANZPEBMVHH-VIFPVBQESA-N
UNII:
45LBL78MB2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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