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Home > Other Heterocycles > 72031-11-9
72031-11-9 | 1-Oxa-4-azaspiro[4.4]nonane-3,3-dimethanol
CAS No: 72031-11-9 Catalog No: AG005DKK MDL No:
Product Description
Catalog Number:
AG005DKK
Chemical Name:
1-Oxa-4-azaspiro[4.4]nonane-3,3-dimethanol
CAS Number:
72031-11-9
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
[3-(hydroxymethyl)-1-oxa-4-azaspiro[4.4]nonan-3-yl]methanol
InChI:
InChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2
InChI Key:
IEUAZNHOIZPQER-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC2(N1)CCCC2
NSC Number:
106045
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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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