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13129-21-0 | 3-Thietanecarboxylic acid, 1,1-dioxide
CAS No: 13129-21-0 Catalog No: AG000VVA MDL No:MFCD01859803
Product Description
Catalog Number:
AG000VVA
Chemical Name:
3-Thietanecarboxylic acid, 1,1-dioxide
CAS Number:
13129-21-0
Molecular Formula:
C4H6O4S
Molecular Weight:
150.1530
MDL Number:
MFCD01859803
IUPAC Name:
1,1-dioxothietane-3-carboxylic acid
InChI:
InChI=1S/C4H6O4S/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)
InChI Key:
YRWVDUXZQYVBJF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CS(=O)(=O)C1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.148g/mol
Monoisotopic Mass:
149.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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