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13333-81-8 | Acetic acid, 2-(2,4,6-trimethylphenoxy)-
CAS No: 13333-81-8 Catalog No: AG0014NX MDL No:MFCD00224887
Product Description
Catalog Number:
AG0014NX
Chemical Name:
Acetic acid, 2-(2,4,6-trimethylphenoxy)-
CAS Number:
13333-81-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00224887
IUPAC Name:
2-(2,4,6-trimethylphenoxy)acetic acid
InChI:
InChI=1S/C11H14O3/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChI Key:
TVYZUFZJRKBXTB-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(C)cc(cc1C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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