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124377-60-2 | Propanoic acid, 2-(2,6-dimethylphenoxy)-
CAS No: 124377-60-2 Catalog No: AG000LY3 MDL No:MFCD04058214
Product Description
Catalog Number:
AG000LY3
Chemical Name:
Propanoic acid, 2-(2,6-dimethylphenoxy)-
CAS Number:
124377-60-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD04058214
IUPAC Name:
2-(2,6-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-7-5-4-6-8(2)10(7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChI Key:
YCBHDWAQGHERIL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1c(C)cccc1C)C
Properties
Complexity:
193
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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