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1418117-81-3 | 3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-, methyl ester
CAS No: 1418117-81-3 Catalog No: AG001H82 MDL No:MFCD22682788
Product Description
Catalog Number:
AG001H82
Chemical Name:
3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-, methyl ester
CAS Number:
1418117-81-3
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
MDL Number:
MFCD22682788
IUPAC Name:
methyl 1-methylsulfonylazetidine-3-carboxylate
InChI:
InChI=1S/C6H11NO4S/c1-11-6(8)5-3-7(4-5)12(2,9)10/h5H,3-4H2,1-2H3
InChI Key:
XCGXPHCGRNPFKK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C1)S(=O)(=O)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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