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99767-34-7 | 2-(1,1-DIOXIDOTHIOMORPHOLIN-4-YL)PROPANOIC ACID
CAS No: 99767-34-7 Catalog No: AG003X0R MDL No:
Product Description
Catalog Number:
AG003X0R
Chemical Name:
2-(1,1-DIOXIDOTHIOMORPHOLIN-4-YL)PROPANOIC ACID
CAS Number:
99767-34-7
Molecular Formula:
C7H13NO4S
Molecular Weight:
207.2474
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid
InChI:
InChI=1S/C7H13NO4S/c1-6(7(9)10)8-2-4-13(11,12)5-3-8/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
AJQWVKGNFNNFCV-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1CCS(=O)(=O)CC1)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.244g/mol
Monoisotopic Mass:
207.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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