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84833-56-7 | Benzoic acid, 4-hydroxy-, (2-methylphenyl)methyl ester
CAS No: 84833-56-7 Catalog No: AG004X2W MDL No:
Product Description
Catalog Number:
AG004X2W
Chemical Name:
Benzoic acid, 4-hydroxy-, (2-methylphenyl)methyl ester
CAS Number:
84833-56-7
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
(2-methylphenyl)methyl 4-hydroxybenzoate
InChI:
InChI=1S/C15H14O3/c1-11-4-2-3-5-13(11)10-18-15(17)12-6-8-14(16)9-7-12/h2-9,16H,10H2,1H3
InChI Key:
DTVQSAZZGHVNRK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)OCc1ccccc1C
Properties
Complexity:
269
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:
3.3
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