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1894677-16-7 | 4-Thiomorpholineacetic acid, 1,1-dioxide, hydrate (1:1)
CAS No: 1894677-16-7 Catalog No: AG002DP4 MDL No:
Product Description
Catalog Number:
AG002DP4
Chemical Name:
4-Thiomorpholineacetic acid, 1,1-dioxide, hydrate (1:1)
CAS Number:
1894677-16-7
Molecular Formula:
C6H13NO5S
Molecular Weight:
211.2361
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid;hydrate
InChI:
InChI=1S/C6H11NO4S.H2O/c8-6(9)5-7-1-3-12(10,11)4-2-7;/h1-5H2,(H,8,9);1H2
InChI Key:
KIPMGQHLUYMNMW-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCS(=O)(=O)CC1.O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.232g/mol
Monoisotopic Mass:
211.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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