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88964-89-0 | 1,2-Propanediol, 3-(2-amino-4-nitrophenoxy)-
CAS No: 88964-89-0 Catalog No: AG0045X2 MDL No:
Product Description
Catalog Number:
AG0045X2
Chemical Name:
1,2-Propanediol, 3-(2-amino-4-nitrophenoxy)-
CAS Number:
88964-89-0
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
IUPAC Name:
3-(2-amino-4-nitrophenoxy)propane-1,2-diol
InChI:
InChI=1S/C9H12N2O5/c10-8-3-6(11(14)15)1-2-9(8)16-5-7(13)4-12/h1-3,7,12-13H,4-5,10H2
InChI Key:
WXNWGESLINOGIE-UHFFFAOYSA-N
SMILES:
OCC(COc1ccc(cc1N)[N+](=O)[O-])O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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