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(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

CAS: 59042-50-1

Formula: C8H10Cl2O2

SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(O)=O

IUPAC: (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

InChI: InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m0/s1

Composition: C (45.96%), H (4.82%), Cl (33.91%), O (15.31%)

Molar Mass: 209.07

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 208.005785
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LLMLSUSAKZVFOA-UJURSFKZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.66
Topological Polar Surface Area 37.3
Polarizability 18.82
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 59042-50-1 $109.14-$1,234.20$109.14$156.06$1,234.20
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