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1219828-33-7 | 3-Azetidinecarboxylic acid, 1-(ethylsulfonyl)-
CAS No: 1219828-33-7 Catalog No: AG0016HO MDL No:MFCD16653315
Product Description
Catalog Number:
AG0016HO
Chemical Name:
3-Azetidinecarboxylic acid, 1-(ethylsulfonyl)-
CAS Number:
1219828-33-7
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
MDL Number:
MFCD16653315
IUPAC Name:
1-ethylsulfonylazetidine-3-carboxylic acid
InChI:
InChI=1S/C6H11NO4S/c1-2-12(10,11)7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChI Key:
GSAXUQYIQDBQMC-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CC(C1)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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