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87378-50-5 | ethyl 3-[3-[(4-hydroxy-3-nitro-benzoyl)amino]propanoylamino]propanoate
CAS No: 87378-50-5 Catalog No: AG004GVH MDL No:
Product Description
Catalog Number:
AG004GVH
Chemical Name:
ethyl 3-[3-[(4-hydroxy-3-nitro-benzoyl)amino]propanoylamino]propanoate
CAS Number:
87378-50-5
Molecular Formula:
C15H19N3O7
Molecular Weight:
353.3273
IUPAC Name:
ethyl 3-[3-[(4-hydroxy-3-nitrobenzoyl)amino]propanoylamino]propanoate
InChI:
InChI=1S/C15H19N3O7/c1-2-25-14(21)6-8-16-13(20)5-7-17-15(22)10-3-4-12(19)11(9-10)18(23)24/h3-4,9,19H,2,5-8H2,1H3,(H,16,20)(H,17,22)
InChI Key:
XRNKCKCTLJETGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNC(=O)CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])O
NSC Number:
374800
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.331g/mol
Monoisotopic Mass:
353.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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