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1420-91-3 | 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dicarboxylic acid
CAS No: 1420-91-3 Catalog No: AG001HIT MDL No:
Product Description
Catalog Number:
AG001HIT
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dicarboxylic acid
CAS Number:
1420-91-3
Molecular Formula:
C9H12O8
Molecular Weight:
248.1868
IUPAC Name:
2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dicarboxylic acid
InChI:
InChI=1S/C9H12O8/c10-5(11)7-14-1-9(2-15-7)3-16-8(6(12)13)17-4-9/h7-8H,1-4H2,(H,10,11)(H,12,13)
InChI Key:
QITPQJKWDAOVHP-UHFFFAOYSA-N
SMILES:
OC(=O)C1OCC2(CO1)COC(OC2)C(=O)O
NSC Number:
47617
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.187g/mol
Monoisotopic Mass:
248.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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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