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6-(4-methylbenzenesulfonyl)-2-oxa-6-azaspiro[3.3]heptane

6-(4-methylbenzenesulfonyl)-2-oxa-6-azaspiro[3.3]heptane

CAS: 13573-28-9

Formula: C12H15NO3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1CC2(COC2)C1

IUPAC: 6-(4-methylbenzenesulfonyl)-2-oxa-6-azaspiro[3.3]heptane

InChI: InChI=1S/C12H15NO3S/c1-10-2-4-11(5-3-10)17(14,15)13-6-12(7-13)8-16-9-12/h2-5H,6-9H2,1H3

Composition: C (56.90%), H (5.97%), N (5.53%), O (18.95%), S (12.66%)

Molar Mass: 253.32

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.077264521
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DVSLPPSXVDZQHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.75
Topological Polar Surface Area 46.61
Polarizability 25.84
Ring Count 3
Rotatable Bond Count 1

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95% <5 Days 13573-28-9 $11.35-$249.68$11.35$37.83$161.41$249.68
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Purity LeadTime CAS PacketSize UnitPrice
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