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123470-94-0 | Benzoic acid, 3-(2-phenylethoxy)-
CAS No: 123470-94-0 Catalog No: AG000KO0 MDL No:MFCD06801171
Product Description
Catalog Number:
AG000KO0
Chemical Name:
Benzoic acid, 3-(2-phenylethoxy)-
CAS Number:
123470-94-0
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD06801171
IUPAC Name:
3-(2-phenylethoxy)benzoic acid
InChI:
InChI=1S/C15H14O3/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,17)
InChI Key:
CBKMKWATRHJMKA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OCCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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