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1245698-26-3 | Butanoic acid, 4-[[2-(4-nitrophenoxy)ethyl]aMino]-
CAS No: 1245698-26-3 Catalog No: AG000MDT MDL No:
Product Description
Catalog Number:
AG000MDT
Chemical Name:
Butanoic acid, 4-[[2-(4-nitrophenoxy)ethyl]aMino]-
CAS Number:
1245698-26-3
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
4-[2-(4-nitrophenoxy)ethylamino]butanoic acid
InChI:
InChI=1S/C12H16N2O5/c15-12(16)2-1-7-13-8-9-19-11-5-3-10(4-6-11)14(17)18/h3-6,13H,1-2,7-9H2,(H,15,16)
InChI Key:
RSRFILVQWROGPW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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