200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 79817-52-0
79817-52-0 | SODIUM 3-(4-METHYL-2-NITROPHENOXY)PROPANESULFONATE
CAS No: 79817-52-0 Catalog No: AG00505F MDL No:
Product Description
Catalog Number:
AG00505F
Chemical Name:
SODIUM 3-(4-METHYL-2-NITROPHENOXY)PROPANESULFONATE
CAS Number:
79817-52-0
Molecular Formula:
C10H12NNaO6S
Molecular Weight:
297.2602
IUPAC Name:
sodium;3-(4-methyl-2-nitrophenoxy)propane-1-sulfonate
InChI:
InChI=1S/C10H13NO6S.Na/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16;/h3-4,7H,2,5-6H2,1H3,(H,14,15,16);/q;+1/p-1
InChI Key:
NYUMEYVVSINMIU-UHFFFAOYSA-M
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCCCS(=O)(=O)[O-].[Na+]
EC Number:
279-282-4
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.257g/mol
Monoisotopic Mass:
297.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.