Home Nitros diethyl 2-[(4-nitrophenyl)methyl]propanedioate

diethyl 2-[(4-nitrophenyl)methyl]propanedioate

CAS No.:
7598-70-1
Catalog Number:
AG008OWO
Molecular Formula:
C14H17NO6
Molecular Weight:
295.2879
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Product Description
Catalog Number:
AG008OWO
Chemical Name:
diethyl 2-[(4-nitrophenyl)methyl]propanedioate
CAS Number:
7598-70-1
Molecular Formula:
C14H17NO6
Molecular Weight:
295.2879
MDL Number:
MFCD00024804
IUPAC Name:
diethyl 2-[(4-nitrophenyl)methyl]propanedioate
InChI:
InChI=1S/C14H17NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-5-7-11(8-6-10)15(18)19/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
DDENYKBUELXLAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
407958
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.291g/mol
Monoisotopic Mass:
295.106g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties