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86693-59-6 | Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-
CAS No: 86693-59-6 Catalog No: AG004KJQ MDL No:
Product Description
Catalog Number:
AG004KJQ
Chemical Name:
Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-
CAS Number:
86693-59-6
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
2-[2-(4-methylphenyl)ethyl]benzoic acid
InChI:
InChI=1S/C16H16O2/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
MSRGJHYCGFYETG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CCc1ccccc1C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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