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2,3-dimethyl-1,4-dioxaspiro[4.5]decane 5413-48-9 98%
【Name】
2,3-dimethyl-1,4-dioxaspiro[4.5]decane
【CAS Registry number】
5413-48-9
【Synonyms】
2,3-dimethyl-1,4-dioxaspiro[4.5]decane
NSC6559
AC1Q6ZCO
AC1L5AK6
NSC-6559
AR-1D2660
【Molecular Formula】
C10H18O2 (Products with the same molecular formula)
【Molecular Weight】
170.2487
【Inchi】
InChI=1/C10H18O2/c1-8-9(2)12-10(11-8)6-4-3-5-7-10/h8-9H,3-7H2,1-2H3
【Canonical SMILES】
CC1C(OC2(O1)CCCCC2)C
【MOL File】
5413-48-9.mol
Chemical and Physical Properties
【Density】
0.99g/cm3
【Boiling Point】
200.2°C at 760 mmHg
【Refractive Index】
1.47
【Flash Point】
71.2°C
【Computed Properties】
Molecular Weight:170.24872 [g/mol]
Molecular Formula:C10H18O2
XLogP3-AA:2.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:170.13068
MonoIsotopic Mass:170.13068
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Formal Charge:0
Complexity:149
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 Ring Count:2
Effective Rotor Count:1.8
Conformer Sampling RMSD:0.4
CID Conformer Count:6
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