Cyclopentaneaceticacid, a-butyl-(CAS No. 5623-89-2)

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1 Kilogram	Negotiable

1 Kilogram

Negotiable

Min.Order :1 Kilogram
Purity: 99%
Payment Terms : L/C,T/T,

Keywords

Cyclopentaneaceticacid, a-butyl- 5623-89-2 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
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ProductionCapacity:1|Metric Ton|Month
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Details:

【Name】
Cyclopentaneaceticacid, a-butyl-
【Iupac name】
2-cyclopentylhexanoic acid
【CAS Registry number】
5623-89-2
【Synonyms】
Hexanoicacid, 2-cyclopentyl-
NSC 60405
【Molecular Formula】
C11H20 O2 (Products with the same molecular formula)
【Molecular Weight】
184.28
【Inchi】
InChI=1/C11H20O2/c1-2-3-8-10(11(12)13)9-6-4-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)
【Canonical SMILES】
CCCCC(C1CCCC1)C(=O)O
【MOL File】
5623-89-2.mol
Chemical and Physical Properties
【Density】
0.996g/cm3
【Boiling Point】
291.8°Cat760mmHg
【Refractive Index】
1.478
【Flash Point】
139.8°C
【Computed Properties】
Molecular Weight:184.2753 [g/mol]
Molecular Formula:C11H20O2
XLogP3-AA:3.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:184.14633
MonoIsotopic Mass:184.14633
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Formal Charge:0
Complexity:160
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:83

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