200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 126070-60-8
126070-60-8 | 1,3-Cyclohexanedione, 2-[4-[(methylsulfonyl)oxy]-2-nitrobenzoyl]-
CAS No: 126070-60-8 Catalog No: AG000R3B MDL No:
Product Description
Catalog Number:
AG000R3B
Chemical Name:
1,3-Cyclohexanedione, 2-[4-[(methylsulfonyl)oxy]-2-nitrobenzoyl]-
CAS Number:
126070-60-8
Molecular Formula:
C14H13NO8S
Molecular Weight:
355.3199
IUPAC Name:
[4-(2,6-dioxocyclohexanecarbonyl)-3-nitrophenyl] methanesulfonate
InChI:
InChI=1S/C14H13NO8S/c1-24(21,22)23-8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChI Key:
MAPXZHNGBCCSFO-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])OS(=O)(=O)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.036g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.317g/mol
Monoisotopic Mass:
355.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.