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Home > Nitro Compounds > 205759-68-8
205759-68-8 | 2-Butanone, 3,4-dihydroxy-4-(4-nitrophenyl)-, (3R,4S)-
CAS No: 205759-68-8 Catalog No: AG002ACE MDL No:
Product Description
Catalog Number:
AG002ACE
Chemical Name:
2-Butanone, 3,4-dihydroxy-4-(4-nitrophenyl)-, (3R,4S)-
CAS Number:
205759-68-8
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
(3R,4S)-3,4-dihydroxy-4-(4-nitrophenyl)butan-2-one
InChI:
InChI=1S/C10H11NO5/c1-6(12)9(13)10(14)7-2-4-8(5-3-7)11(15)16/h2-5,9-10,13-14H,1H3/t9-,10-/m0/s1
InChI Key:
GTMONXUDXSKDCE-UWVGGRQHSA-N
SMILES:
CC(=O)[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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