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115057-32-4 | Acetic acid, 2-[4-(4-methoxybenzoyl)-2-methylphenoxy]-, methyl ester
CAS No: 115057-32-4 Catalog No: AG000FT4 MDL No:
Product Description
Catalog Number:
AG000FT4
Chemical Name:
Acetic acid, 2-[4-(4-methoxybenzoyl)-2-methylphenoxy]-, methyl ester
CAS Number:
115057-32-4
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
IUPAC Name:
methyl 2-[4-(4-methoxybenzoyl)-2-methylphenoxy]acetate
InChI:
InChI=1S/C18H18O5/c1-12-10-14(6-9-16(12)23-11-17(19)22-3)18(20)13-4-7-15(21-2)8-5-13/h4-10H,11H2,1-3H3
InChI Key:
HJYXURCPMAHFAD-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1C)C(=O)c1ccc(cc1)OC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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