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189454-29-3 | 1(3H)-Isobenzofuranone, 3,4,6-trimethoxy-
CAS No: 189454-29-3 Catalog No: AG002DOP MDL No:MFCD01312574
Product Description
Catalog Number:
AG002DOP
Chemical Name:
1(3H)-Isobenzofuranone, 3,4,6-trimethoxy-
CAS Number:
189454-29-3
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD01312574
IUPAC Name:
3,4,6-trimethoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3
InChI Key:
JNVLFUCEKYADLU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)OC2OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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