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155526-40-2 | Propanoic acid, 3-(2-phenylethoxy)-
CAS No: 155526-40-2 Catalog No: AG001NZ7 MDL No:
Product Description
Catalog Number:
AG001NZ7
Chemical Name:
Propanoic acid, 3-(2-phenylethoxy)-
CAS Number:
155526-40-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-(2-phenylethoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c12-11(13)7-9-14-8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)
InChI Key:
IENQCPAFBMYUKE-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCCc1ccccc1
Properties
Complexity:
162
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:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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