1,3-Cyclopentanedic...

1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-rel- 5394-83-2

1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-rel- 5394-83-2

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  • Purity: 99%
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Keywords

1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-rel- 5394-83-2 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

【Name】
1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-rel-
【CAS Registry number】
5394-83-2
【Synonyms】
1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, cis-
Camphoric acid (6CI,7CI,8CI)
Camphoric acid, (à)-
DL-Camphoric acid
NSC174634
NSC 60219
dl-Camphoric acid
【EINECS(EC#)】
226-404-9
【Molecular Formula】
C10H16 O4 (Products with the same molecular formula)
【Molecular Weight】
200.23
【Inchi】
InChI=1/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
【Canonical SMILES】
CC1(C(CCC1(C)C(=O)O)C(=O)O)C
【MOL File】
5394-83-2.mol
Chemical and Physical Properties
【Density】
1.177g/cm3
【Boiling Point】
312°Cat760mmHg
【Refractive Index】
1.49
【Flash Point】
156.7°C
【Computed Properties】
Molecular Weight:200.23164 [g/mol]
Molecular Formula:C10H16O4
XLogP3-AA:1.3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:200.104859
MonoIsotopic Mass:200.104859
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Formal Charge:0
Complexity:282
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:19

 

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