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38768-08-0 | 7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate
CAS No: 38768-08-0 Catalog No: AG003V9A MDL No:MFCD00671574
Product Description
Catalog Number:
AG003V9A
Chemical Name:
7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate
CAS Number:
38768-08-0
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD00671574
IUPAC Name:
(7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3
InChI Key:
AWUMFQREGHLKJB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1cccccc1=O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Aminotroponiminatogermaacid halides with a Ge(E)X moiety (E = S, Se; X = F, Cl). | Inorganic chemistry 20120903 |
| Effective preparation of cycloheptimidazol-4-one compounds. | Chemical & pharmaceutical bulletin 20060501 |
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