D-Lyxonicacid, 2-C-...

D-Lyxonicacid, 2-C-methyl-, g-lactone 53008-96-1

D-Lyxonicacid, 2-C-methyl-, g-lactone 53008-96-1

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D-Lyxonicacid, 2-C-methyl-, g-lactone 53008-96-1 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
D-Lyxonicacid, 2-C-methyl-, g-lactone
【CAS Registry number】
53008-96-1
【Synonyms】
2-C-Methyl-D-lyxono-1,4-lactone
2-C-Methyl-D-lyxonolactone
NSC 244799
【Molecular Formula】
C6H10 O5 (Products with the same molecular formula)
【Molecular Weight】
162.1406
【Inchi】
InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3
【Canonical SMILES】
CC1(C(C(OC1=O)CO)O)O
Chemical and Physical Properties
【Density】
1.512g/cm3
【Boiling Point】
338.3°Cat760mmHg
【Flash Point】
145.6°C
【Computed Properties】
Molecular Weight:162.1406 [g/mol]
Molecular Formula:C6H10O5
XLogP3-AA:-1.2
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:1
Exact Mass:162.052823
MonoIsotopic Mass:162.052823
Topological Polar Surface Area:87
Heavy Atom Count:11
Formal Charge:0
Complexity:180
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:4
Feature 3D Donor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:1.8
Conformer Sampling RMSD:0.4
CID Conformer Count:21

 

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