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89654-16-0 | Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester
CAS No: 89654-16-0 Catalog No: AG00450I MDL No:
Product Description
Catalog Number:
AG00450I
Chemical Name:
Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester
CAS Number:
89654-16-0
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
methyl 4-[3-(4-methoxycarbonylphenyl)-2-oxopropyl]benzoate
InChI:
InChI=1S/C19H18O5/c1-23-18(21)15-7-3-13(4-8-15)11-17(20)12-14-5-9-16(10-6-14)19(22)24-2/h3-10H,11-12H2,1-2H3
InChI Key:
HXOOAHXMJNMDMK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CC(=O)Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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