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190188-27-3 | Benzoic acid, 2-hydroxy-4-methyl-, phenylmethyl ester
CAS No: 190188-27-3 Catalog No: AG002EE6 MDL No:
Product Description
Catalog Number:
AG002EE6
Chemical Name:
Benzoic acid, 2-hydroxy-4-methyl-, phenylmethyl ester
CAS Number:
190188-27-3
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
benzyl 2-hydroxy-4-methylbenzoate
InChI:
InChI=1S/C15H14O3/c1-11-7-8-13(14(16)9-11)15(17)18-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChI Key:
ORGSSPLLJXROKU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)C(=O)OCc1ccccc1
Properties
Complexity:
271
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:
4.8
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