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17413-77-3 | Propanoic acid, 2-(4-ethylphenoxy)-2-methyl-
CAS No: 17413-77-3 Catalog No: AG001ZHG MDL No:MFCD03422277
Product Description
Catalog Number:
AG001ZHG
Chemical Name:
Propanoic acid, 2-(4-ethylphenoxy)-2-methyl-
CAS Number:
17413-77-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD03422277
IUPAC Name:
2-(4-ethylphenoxy)-2-methylpropanoic acid
InChI:
InChI=1S/C12H16O3/c1-4-9-5-7-10(8-6-9)15-12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChI Key:
HHHGHRABZLIUAT-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OC(C(=O)O)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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