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2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol

2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol

CAS: 21651-04-7

Formula: C12H18O4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CO

IUPAC: 2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol

InChI: InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7,13H,8-9H2,1-3H3

Composition: C (55.79%), H (7.02%), O (24.77%), S (12.41%)

Molar Mass: 258.33

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.092580234
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GLIAEEACYRUJKS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.12
Topological Polar Surface Area 63.6
Polarizability 26.77
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 21651-04-7 Quote Only
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 21651-04-7 $134.55-$1,828.50$134.55$157.55$201.25$286.35$457.70$1,828.50
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