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146952-26-3 | Benzoic acid, 4-methoxy-, 4-hydroxy-3-methylphenyl ester
CAS No: 146952-26-3 Catalog No: AG001EGG MDL No:
Product Description
Catalog Number:
AG001EGG
Chemical Name:
Benzoic acid, 4-methoxy-, 4-hydroxy-3-methylphenyl ester
CAS Number:
146952-26-3
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
(4-hydroxy-3-methylphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C15H14O4/c1-10-9-13(7-8-14(10)16)19-15(17)11-3-5-12(18-2)6-4-11/h3-9,16H,1-2H3
InChI Key:
UCLGVOCFGKUSGX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc(c(c1)C)O
Properties
Complexity:
297
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:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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