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Home > Nitro Compounds > 685108-29-6
685108-29-6 | 1,3-dimethyl 2-(4-nitrophenyl)-2-propylpropanedioate
CAS No: 685108-29-6 Catalog No: AG00ISRB MDL No:MFCD03617551
Product Description
Catalog Number:
AG00ISRB
Chemical Name:
1,3-dimethyl 2-(4-nitrophenyl)-2-propylpropanedioate
CAS Number:
685108-29-6
Molecular Formula:
C14H17NO6
Molecular Weight:
295.2879
MDL Number:
MFCD03617551
IUPAC Name:
dimethyl 2-(4-nitrophenyl)-2-propylpropanedioate
InChI:
InChI=1S/C14H17NO6/c1-4-9-14(12(16)20-2,13(17)21-3)10-5-7-11(8-6-10)15(18)19/h5-8H,4,9H2,1-3H3
InChI Key:
ICDFIWKBOWHCNU-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
Properties
Complexity:
379
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:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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