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methyl 3-[(4-methylbenzenesulfonyl)oxy]but-2-enoate

methyl 3-[(4-methylbenzenesulfonyl)oxy]but-2-enoate

Formula: C12H14O5S

SMILES: COC(=O)C=C(C)OS(=O)(=O)C1=CC=C(C)C=C1

IUPAC: methyl 3-[(4-methylbenzenesulfonyl)oxy]but-2-enoate

InChI: InChI=1S/C12H14O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-8H,1-3H3

Composition: C (53.32%), H (5.22%), O (29.60%), S (11.86%)

Molar Mass: 270.3

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.056194725
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QBENOPMVGLDWSB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.8
Topological Polar Surface Area 69.67
Polarizability 26.71
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C12H14O5S $91.63-$340.34$91.63$142.12$340.34
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98% <14 Days C12H14O5S Quote Only
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