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21111-80-8 | Benzoic acid, 4-methoxy-, 4-hydroxy-2,3,5,6-tetramethylphenyl ester
CAS No: 21111-80-8 Catalog No: AG002L6G MDL No:
Product Description
Catalog Number:
AG002L6G
Chemical Name:
Benzoic acid, 4-methoxy-, 4-hydroxy-2,3,5,6-tetramethylphenyl ester
CAS Number:
21111-80-8
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
IUPAC Name:
(4-hydroxy-2,3,5,6-tetramethylphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C18H20O4/c1-10-12(3)17(13(4)11(2)16(10)19)22-18(20)14-6-8-15(21-5)9-7-14/h6-9,19H,1-5H3
InChI Key:
VWHTWWIQMBIRNQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1c(C)c(C)c(c(c1C)C)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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