2-Cyclopenten-1-one...

2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl- 53263-58-4

2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl- 53263-58-4

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2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl- 53263-58-4 98%

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Details:

Identification and Related Records
【Name】
2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl-
【Iupac name】
5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
【CAS Registry number】
53263-58-4
【Synonyms】
5-Ethyl-2-hydroxy-3-methyl-cyclopent-2-en-1-one
【EINECS(EC#)】
258-451-6
【Molecular Formula】
C8H12 O2 (Products with the same molecular formula)
【Molecular Weight】
140.17968
【Inchi】
InChI=1/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
【InChIKey】
ARHWUYVUNJLMRR-UHFFFAOYSA-N
【Canonical SMILES】
CCC1CC(=C(C1=O)O)C
【MOL File】
53263-58-4.mol
Chemical and Physical Properties
【Density】
1.086g/cm3
【Boiling Point】
260.5°Cat760mmHg
【Refractive Index】
1.507
【Flash Point】
108°C
【Computed Properties】
Molecular Weight:140.17968 [g/mol]
Molecular Formula:C8H12O2
XLogP3-AA:1.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:25
Exact Mass:140.08373
MonoIsotopic Mass:140.08373
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Formal Charge:0
Complexity:191
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:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1.4
Conformer Sampling RMSD:0.4
CID Conformer Count:6

 

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