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85797-20-2 | 6-Oxa-3-thia-2,4-diazadecanoic acid, 5-oxo-, butyl ester, 3,3-dioxide
CAS No: 85797-20-2 Catalog No: AG004OH3 MDL No:
Product Description
Catalog Number:
AG004OH3
Chemical Name:
6-Oxa-3-thia-2,4-diazadecanoic acid, 5-oxo-, butyl ester, 3,3-dioxide
CAS Number:
85797-20-2
Molecular Formula:
C10H20N2O6S
Molecular Weight:
296.3406
IUPAC Name:
butyl N-(butoxycarbonylsulfamoyl)carbamate
InChI:
InChI=1S/C10H20N2O6S/c1-3-5-7-17-9(13)11-19(15,16)12-10(14)18-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChI Key:
WZKIGKBERCRYLM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)NS(=O)(=O)NC(=O)OCCCC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.338g/mol
Monoisotopic Mass:
296.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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