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Home > Nitro Compounds > 1885-07-0
1885-07-0 | 2-Oxiranemethanol, 3-(4-nitrophenyl)-, (2S,3S)-
CAS No: 1885-07-0 Catalog No: AG002GXY MDL No:
Product Description
Catalog Number:
AG002GXY
Chemical Name:
2-Oxiranemethanol, 3-(4-nitrophenyl)-, (2S,3S)-
CAS Number:
1885-07-0
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
[(2S,3S)-3-(4-nitrophenyl)oxiran-2-yl]methanol
InChI:
InChI=1S/C9H9NO4/c11-5-8-9(14-8)6-1-3-7(4-2-6)10(12)13/h1-4,8-9,11H,5H2/t8-,9-/m0/s1
InChI Key:
TVWSYFXHQPGITR-IUCAKERBSA-N
SMILES:
OC[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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