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Home > Nitro Compounds > 189568-56-7
189568-56-7 | 1,3-HEXANEDIONE, 1-(3-METHOXY-2-NITROPHENYL)-
CAS No: 189568-56-7 Catalog No: AG002DRS MDL No:
Product Description
Catalog Number:
AG002DRS
Chemical Name:
1,3-HEXANEDIONE, 1-(3-METHOXY-2-NITROPHENYL)-
CAS Number:
189568-56-7
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
1-(3-methoxy-2-nitrophenyl)hexane-1,3-dione
InChI:
InChI=1S/C13H15NO5/c1-3-5-9(15)8-11(16)10-6-4-7-12(19-2)13(10)14(17)18/h4,6-7H,3,5,8H2,1-2H3
InChI Key:
MRCQHMRITGPTTO-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC(=O)c1cccc(c1[N+](=O)[O-])OC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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