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116414-71-2 | Benzoic acid, 3-methoxy-5-phenoxy-, methyl ester
CAS No: 116414-71-2 Catalog No: AG000CFU MDL No:
Product Description
Catalog Number:
AG000CFU
Chemical Name:
Benzoic acid, 3-methoxy-5-phenoxy-, methyl ester
CAS Number:
116414-71-2
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
methyl 3-methoxy-5-phenoxybenzoate
InChI:
InChI=1S/C15H14O4/c1-17-13-8-11(15(16)18-2)9-14(10-13)19-12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
BRNCHIOUVFBRTL-UHFFFAOYSA-N
SMILES:
COc1cc(Oc2ccccc2)cc(c1)C(=O)OC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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