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89127-43-5 | Benzoic acid, 2-methyl-, 4-methoxyphenyl ester
CAS No: 89127-43-5 Catalog No: AG003Z57 MDL No:
Product Description
Catalog Number:
AG003Z57
Chemical Name:
Benzoic acid, 2-methyl-, 4-methoxyphenyl ester
CAS Number:
89127-43-5
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
(4-methoxyphenyl) 2-methylbenzoate
InChI:
InChI=1S/C15H14O3/c1-11-5-3-4-6-14(11)15(16)18-13-9-7-12(17-2)8-10-13/h3-10H,1-2H3
InChI Key:
SSXAFVFFDQRUTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1ccccc1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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