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Home > Nitro Compounds > 89080-61-5
89080-61-5 | Pentanedioic acid, 2,4-diacetyl-3-(3-nitrophenyl)-, dimethyl ester
CAS No: 89080-61-5 Catalog No: AG003ZPD MDL No:
Product Description
Catalog Number:
AG003ZPD
Chemical Name:
Pentanedioic acid, 2,4-diacetyl-3-(3-nitrophenyl)-, dimethyl ester
CAS Number:
89080-61-5
Molecular Formula:
C17H19NO8
Molecular Weight:
365.3347
IUPAC Name:
dimethyl 2,4-diacetyl-3-(3-nitrophenyl)pentanedioate
InChI:
InChI=1S/C17H19NO8/c1-9(19)13(16(21)25-3)15(14(10(2)20)17(22)26-4)11-6-5-7-12(8-11)18(23)24/h5-8,13-15H,1-4H3
InChI Key:
NRZGJFOHXKPBOS-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(C(=O)OC)C(=O)C)c1cccc(c1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.338g/mol
Monoisotopic Mass:
365.111g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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