6-methyl-3-methylid...

6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one 54312-53-7

6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one 54312-53-7

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6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one 54312-53-7 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
【Iupac name】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
【CAS Registry number】
54312-53-7
【Synonyms】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
54312-53-7
NSC258628
AC1L7YVO
NSC-258628
【Molecular Formula】
C11H16O2 (Products with the same molecular formula)
【Molecular Weight】
180.2435
【Inchi】
InChI=1/C11H16O2/c1-7-3-4-10-9(5-7)6-8(2)11(12)13-10/h7,9-10H,2-6H2,1H3
【Canonical SMILES】
CC1CCC2C(C1)CC(=C)C(=O)O2
Chemical and Physical Properties
【Density】
1.04g/cm3
【Boiling Point】
310.5°Cat760mmHg
【Refractive Index】
1.491
【Flash Point】
310.5°Cat760mmHg
【Computed Properties】
Molecular Weight:180.24354 [g/mol]
Molecular Formula:C11H16O2
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:180.11503
MonoIsotopic Mass:180.11503
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Formal Charge:0
Complexity:245
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.4
CID Conformer Count:21

 

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