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206662-73-9 | Carbonic acid, 1,1-dimethylethyl 2,6-dimethylphenyl ester
CAS No: 206662-73-9 Catalog No: AG002ILX MDL No:
Product Description
Catalog Number:
AG002ILX
Chemical Name:
Carbonic acid, 1,1-dimethylethyl 2,6-dimethylphenyl ester
CAS Number:
206662-73-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
tert-butyl (2,6-dimethylphenyl) carbonate
InChI:
InChI=1S/C13H18O3/c1-9-7-6-8-10(2)11(9)15-12(14)16-13(3,4)5/h6-8H,1-5H3
InChI Key:
HRJQKAXFCLMZTA-UHFFFAOYSA-N
SMILES:
O=C(Oc1c(C)cccc1C)OC(C)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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