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14389-86-7 | Benzoic acid, 2-(phenylmethoxy)-
CAS No: 14389-86-7 Catalog No: AG001IL4 MDL No:MFCD00051940
Product Description
Catalog Number:
AG001IL4
Chemical Name:
Benzoic acid, 2-(phenylmethoxy)-
CAS Number:
14389-86-7
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD00051940
IUPAC Name:
2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key:
GMOYUTKNPLBTMT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage. | Journal of agricultural and food chemistry 20090422 |
| Comparison of in vitro and in vivo estrogenic activity of UV filters in fish. | Toxicological sciences : an official journal of the Society of Toxicology 20060401 |
| Leaching of plasticizers from temporary denture soft lining materials. | European journal of oral sciences 20040201 |
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