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Home > Nitro Compounds > 73491-91-5
73491-91-5 | 2-nitroisocitrate
CAS No: 73491-91-5 Catalog No: AG00FW95 MDL No:
Product Description
Catalog Number:
AG00FW95
Chemical Name:
2-nitroisocitrate
CAS Number:
73491-91-5
IUPAC Name:
2-hydroxy-3-nitropentanedioic acid
InChI:
InChI=1S/C5H7NO7/c7-3(8)1-2(6(12)13)4(9)5(10)11/h2,4,9H,1H2,(H,7,8)(H,10,11)
InChI Key:
ZTJSGPUFCRRTOT-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.111g/mol
Monoisotopic Mass:
193.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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