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827611-36-9 | Acetic acid, (3-nitrophenoxy)-, 2-(4-methoxyphenyl)-2-oxoethyl ester
CAS No: 827611-36-9 Catalog No: AG004YSJ MDL No:
Product Description
Catalog Number:
AG004YSJ
Chemical Name:
Acetic acid, (3-nitrophenoxy)-, 2-(4-methoxyphenyl)-2-oxoethyl ester
CAS Number:
827611-36-9
Molecular Formula:
C17H15NO7
Molecular Weight:
345.3035
IUPAC Name:
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(3-nitrophenoxy)acetate
InChI:
InChI=1S/C17H15NO7/c1-23-14-7-5-12(6-8-14)16(19)10-25-17(20)11-24-15-4-2-3-13(9-15)18(21)22/h2-9H,10-11H2,1H3
InChI Key:
OBWNBEKFLDYIRS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)COC(=O)COc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.307g/mol
Monoisotopic Mass:
345.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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