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1237542-12-9 |
CAS No: 1237542-12-9 Catalog No: AG01FN5L MDL No:
Product Description
Catalog Number:
AG01FN5L
CAS Number:
1237542-12-9
IUPAC Name:
2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C14H17NO4S/c1-10-2-4-12(5-3-10)20(18,19)15-8-14(9-15)6-11(7-14)13(16)17/h2-5,11H,6-9H2,1H3,(H,16,17)
InChI Key:
QJEGJKGFGGSEOL-UHFFFAOYSA-N
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.353g/mol
Monoisotopic Mass:
295.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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