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14387-30-5 | Benzoic acid, 4,4'-oxybis-, 1,1'-dimethyl ester
CAS No: 14387-30-5 Catalog No: AG001IIE MDL No:MFCD00075744
Product Description
Catalog Number:
AG001IIE
Chemical Name:
Benzoic acid, 4,4'-oxybis-, 1,1'-dimethyl ester
CAS Number:
14387-30-5
Molecular Formula:
C16H12O5--
Molecular Weight:
284.2635
MDL Number:
MFCD00075744
IUPAC Name:
methyl 4-(4-methoxycarbonylphenoxy)benzoate
InChI:
InChI=1S/C16H14O5/c1-19-15(17)11-3-7-13(8-4-11)21-14-9-5-12(6-10-14)16(18)20-2/h3-10H,1-2H3
InChI Key:
CGARGJZZBOHMIZ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc(cc1C)Oc1ccc(c(c1)C)C(=O)[O-]
EC Number:
238-358-7
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.283g/mol
Monoisotopic Mass:
286.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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