2-hydroxy-3,7-dimet...

2-hydroxy-3,7-dimethyloct-7-enal 5344-30-9

2-hydroxy-3,7-dimethyloct-7-enal 5344-30-9

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2-hydroxy-3,7-dimethyl-oct-7-enal 5344-30-9 C10H18O2

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:

Identification and Related Records
【Name】
2-hydroxy-3,7-dimethyloct-7-enal
【CAS Registry number】
5344-30-9
【Synonyms】
2-hydroxy-3,7-dimethyloct-7-enal
NSC1099
AC1Q6PN0
AC1L5746
NSC-1099
AR-1E2340
【Molecular Formula】
C10H18O2 (Products with the same molecular formula)
【Molecular Weight】
170.2487
【Inchi】
InChI=1/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h7,9-10,12H,1,4-6H2,2-3H3
【Canonical SMILES】
CC(CCCC(=C)C)C(C=O)O
【MOL File】
5344-30-9.mol
Chemical and Physical Properties
【Density】
0.924g/cm3
【Boiling Point】
244.7°C at 760 mmHg
【Refractive Index】
1.451
【Flash Point】
100.4°C
【Computed Properties】
Molecular Weight:170.24872 [g/mol]
Molecular Formula:C10H18O2
XLogP3-AA:2.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:6
Tautomer Count:4
Exact Mass:170.13068
MonoIsotopic Mass:170.13068
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Formal Charge:0
Complexity:152
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:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.6

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