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Home > Other Heterocycles > 6935-31-5
6935-31-5 | Spiro[3.3]heptane-2,2,6,6-tetramethanol
CAS No: 6935-31-5 Catalog No: AG005NCK MDL No:
Product Description
Catalog Number:
AG005NCK
Chemical Name:
Spiro[3.3]heptane-2,2,6,6-tetramethanol
CAS Number:
6935-31-5
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
[2,2,6-tris(hydroxymethyl)spiro[3.3]heptan-6-yl]methanol
InChI:
InChI=1S/C11H20O4/c12-5-10(6-13)1-9(2-10)3-11(4-9,7-14)8-15/h12-15H,1-8H2
InChI Key:
WCBUYYSNFYQLFJ-UHFFFAOYSA-N
SMILES:
OCC1(CO)CC2(C1)CC(C2)(CO)CO
NSC Number:
47619
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^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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