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179191-93-6 | 3-Cyclobutene-1,2-dione, 3-ethoxy-4-(4-iodophenyl)-
CAS No: 179191-93-6 Catalog No: AG0026UO MDL No:
Product Description
Catalog Number:
AG0026UO
Chemical Name:
3-Cyclobutene-1,2-dione, 3-ethoxy-4-(4-iodophenyl)-
CAS Number:
179191-93-6
Molecular Formula:
C12H9IO3
Molecular Weight:
328.1025
IUPAC Name:
3-ethoxy-4-(4-iodophenyl)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C12H9IO3/c1-2-16-12-9(10(14)11(12)15)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3
InChI Key:
IOPBWAFOHUNDPY-UHFFFAOYSA-N
SMILES:
CCOC1=C(C(=O)C1=O)c1ccc(cc1)I
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.105g/mol
Monoisotopic Mass:
327.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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