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16554-70-4 | 1,3,4,6-Pentalenetetracarboxylic acid, octahydro-, 1,3,4,6-tetramethyl ester
CAS No: 16554-70-4 Catalog No: AG001W83 MDL No:
Product Description
Catalog Number:
AG001W83
Chemical Name:
1,3,4,6-Pentalenetetracarboxylic acid, octahydro-, 1,3,4,6-tetramethyl ester
CAS Number:
16554-70-4
Molecular Formula:
C16H22O8
Molecular Weight:
342.3411
IUPAC Name:
tetramethyl 1,2,3,3a,4,5,6,6a-octahydropentalene-1,3,4,6-tetracarboxylate
InChI:
InChI=1S/C16H22O8/c1-21-13(17)7-5-8(14(18)22-2)12-10(16(20)24-4)6-9(11(7)12)15(19)23-3/h7-12H,5-6H2,1-4H3
InChI Key:
VSCIMPGUEVXPLI-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C2C1C(CC2C(=O)OC)C(=O)OC)C(=O)OC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.344g/mol
Monoisotopic Mass:
342.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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