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Home > Nitro Compounds > 76820-34-3
76820-34-3 | N1,N3-Bis(2,3-dihydroxypropyl)-5-nitroisophthalamide
CAS No: 76820-34-3 Catalog No: AG0059IP MDL No:MFCD06657564
Product Description
Catalog Number:
AG0059IP
Chemical Name:
N1,N3-Bis(2,3-dihydroxypropyl)-5-nitroisophthalamide
CAS Number:
76820-34-3
Molecular Formula:
C14H19N3O8
Molecular Weight:
357.3160
MDL Number:
MFCD06657564
IUPAC Name:
1-N,3-N-bis(2,3-dihydroxypropyl)-5-nitrobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C14H19N3O8/c18-6-11(20)4-15-13(22)8-1-9(3-10(2-8)17(24)25)14(23)16-5-12(21)7-19/h1-3,11-12,18-21H,4-7H2,(H,15,22)(H,16,23)
InChI Key:
LJEBHEAPZMNBSI-UHFFFAOYSA-N
SMILES:
OCC(CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC(CO)O)O
EC Number:
616-392-7
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
357.319g/mol
Monoisotopic Mass:
357.117g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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