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Home > Nitro Compounds > 1461708-45-1
1461708-45-1 | 1,3-diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate
CAS No: 1461708-45-1 Catalog No: AG01A6DF MDL No:MFCD25970307
Product Description
Catalog Number:
AG01A6DF
Chemical Name:
1,3-diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate
CAS Number:
1461708-45-1
Molecular Formula:
C16H21NO6
Molecular Weight:
323.3410
MDL Number:
MFCD25970307
IUPAC Name:
diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate
InChI:
InChI=1S/C16H21NO6/c1-4-16(14(18)22-5-2,15(19)23-6-3)11-12-7-9-13(10-8-12)17(20)21/h7-10H,4-6,11H2,1-3H3
InChI Key:
NPVAMWCFKHMYMA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCC)(C(=O)OCC)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.345g/mol
Monoisotopic Mass:
323.137g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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