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84833-58-9 | Benzoic acid, 4-hydroxy-, (4-methylphenyl)methyl ester
CAS No: 84833-58-9 Catalog No: AG004N4G MDL No:
Product Description
Catalog Number:
AG004N4G
Chemical Name:
Benzoic acid, 4-hydroxy-, (4-methylphenyl)methyl ester
CAS Number:
84833-58-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
(4-methylphenyl)methyl 4-hydroxybenzoate
InChI:
InChI=1S/C15H14O3/c1-11-2-4-12(5-3-11)10-18-15(17)13-6-8-14(16)9-7-13/h2-9,16H,10H2,1H3
InChI Key:
BYFJLAHGKYACPI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COC(=O)c1ccc(cc1)O
Properties
Complexity:
261
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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