Cyclopentanecarboxy...

Cyclopentanecarboxylicacid, 3-isopropyl-1-methyl-, piperonyl ester, cis- (8CI) 5421-35-2

Cyclopentanecarboxylicacid, 3-isopropyl-1-methyl-, piperonyl ester, cis- (8CI) 5421-35-2

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Cyclopentanecarboxylicacid, 3-isopropyl-1-methyl-, piperonyl ester, cis- (8CI) 5421-35-2 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
Cyclopentanecarboxylicacid, 3-isopropyl-1-methyl-, piperonyl ester, cis- (8CI)
【Iupac name】
1,3-benzodioxol-5-ylmethyl
(1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylate
【CAS Registry number】
5421-35-2
【Synonyms】
NSC 6695
【Molecular Formula】
C18H24 O4 (Products with the same molecular formula)
【Molecular Weight】
304.3808
【Inchi】
InChI=1/C18H24O4/c1-12(2)14-6-7-18(3,9-14)17(19)20-10-13-4-5-15-16(8-13)22-11-21-15/h4-5,8,12,14H,6-7,9-11H2,1-3H3/t14-,18+/m0/s1
【Canonical SMILES】
CC(C)C1CCC(C1)(C)C(=O)OCC2=CC3=C(C=C2)OCO3
【Isomers smiles】
CC(C)[C@H]1CC[C@@](C1)(C)C(=O)OCC2=CC3=C(C=C2)OCO3
Chemical and Physical Properties
【Density】
1.132g/cm3
【Boiling Point】
384.3°Cat760mmHg
【Refractive Index】
1.53
【Flash Point】
166.1°C
【Computed Properties】
Molecular Weight:304.38076 [g/mol]
Molecular Formula:C18H24O4
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:304.167459
MonoIsotopic Mass:304.167459
Topological Polar Surface Area:44.8
Heavy Atom Count:22
Formal Charge:0
Complexity:408
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:6.6
Conformer Sampling RMSD:0.8
CID Conformer Count:190

 

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