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70185-87-4 | Benzenesulfonic acid,2,5-bis[(1,3-dioxobutyl)amino]-
CAS No: 70185-87-4 Catalog No: AG005KQ3 MDL No:MFCD04972525
Product Description
Catalog Number:
AG005KQ3
Chemical Name:
Benzenesulfonic acid,2,5-bis[(1,3-dioxobutyl)amino]-
CAS Number:
70185-87-4
Molecular Formula:
C14H16N2O7S
Molecular Weight:
356.3510
MDL Number:
MFCD04972525
IUPAC Name:
2,5-bis(3-oxobutanoylamino)benzenesulfonic acid
InChI:
InChI=1S/C14H16N2O7S/c1-8(17)5-13(19)15-10-3-4-11(12(7-10)24(21,22)23)16-14(20)6-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)
InChI Key:
DIOSHTLNZVXJOF-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)Nc1ccc(c(c1)S(=O)(=O)O)NC(=O)CC(=O)C
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.349g/mol
Monoisotopic Mass:
356.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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