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methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate

methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate

CAS: 38410-80-9

Formula: C8H14O4

SMILES: COC(=O)[C@H]1OC(C)(C)O[C@@H]1C

IUPAC: methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate

InChI: InChI=1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6+/m1/s1

Composition: C (55.16%), H (8.10%), O (36.74%)

Molar Mass: 174.196

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 174.089208931
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AELKYRWKHKGMAD-RITPCOANSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.78
Topological Polar Surface Area 44.76
Polarizability 16.97
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 38410-80-9 $46.66-$249.68$46.66$54.22$93.31$249.68
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