propan-2-yl 2,3,5,6...

propan-2-yl 2,3,5,6-tetramethylbenzoate(CAS No. 55352-36-8)

propan-2-yl 2,3,5,6-tetramethylbenzoate(CAS No. 55352-36-8)

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propan-2-yl 2,3,5,6-tetramethylbenzoate 55352-36-8 98

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  • Appearance:Solid
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Details:

【Name】
propan-2-yl 2,3,5,6-tetramethylbenzoate
【Iupac name】
propan-2-yl 2,3,5,6-tetramethylbenzoate
【CAS Registry number】
55352-36-8
【Synonyms】
NSC409545
AC1L8BAV
NSC-409545
propan-2-yl 2,3,5,6-tetramethylbenzoate
55352-36-8
【Molecular Formula】
C14H20O2 (Products with the same molecular formula)
【Molecular Weight】
220.3074
【Inchi】
InChI=1/C14H20O2/c1-8(2)16-14(15)13-11(5)9(3)7-10(4)12(13)6/h7-8H,1-6H3
【Canonical SMILES】
CC1=CC(=C(C(=C1C)C(=O)OC(C)C)C)C
【MOL File】
55352-36-8.mol
Chemical and Physical Properties
【Density】
0.975g/cm3
【Boiling Point】
302.8°C at 760 mmHg
【Refractive Index】
1.501
【Flash Point】
136.3°C
【Computed Properties】
Molecular Weight:220.3074 [g/mol]
Molecular Formula:C14H20O2
XLogP3-AA:4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:220.14633
MonoIsotopic Mass:220.14633
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Formal Charge:0
Complexity:233
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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