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17481-44-6 | 2-Azetidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 17481-44-6 Catalog No: AG001ZZ3 MDL No:
Product Description
Catalog Number:
AG001ZZ3
Chemical Name:
2-Azetidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
17481-44-6
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
IUPAC Name:
1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-7-6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChI Key:
PCZMDMOEFYSSGY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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