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2230802-48-7 | 4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6,4-thiazepane-6-carboxylic acid
CAS No: 2230802-48-7 Catalog No: AG01FJ0S MDL No:
Product Description
Catalog Number:
AG01FJ0S
Chemical Name:
4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6,4-thiazepane-6-carboxylic acid
CAS Number:
2230802-48-7
Molecular Formula:
C11H19NO6S
Molecular Weight:
293.3367
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazepane-6-carboxylic acid
InChI:
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-4-5-19(16,17)7-8(6-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChI Key:
HPTDFNPGWXZMAA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CCS(=O)(=O)C1)C(=O)OC(C)(C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.334g/mol
Monoisotopic Mass:
293.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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