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1136-52-3 | 4H-1,3-Dioxino[4,5-c]pyridine-5-methanol, 2,2,8-trimethyl-
CAS No: 1136-52-3 Catalog No: AG00094A MDL No:MFCD00233509
Product Description
Catalog Number:
AG00094A
Chemical Name:
4H-1,3-Dioxino[4,5-c]pyridine-5-methanol, 2,2,8-trimethyl-
CAS Number:
1136-52-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD00233509
IUPAC Name:
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
InChI:
InChI=1S/C11H15NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4,13H,5-6H2,1-3H3
InChI Key:
CZFIJMPIIQHVJD-UHFFFAOYSA-N
SMILES:
OCc1cnc(c2c1COC(O2)(C)C)C
EC Number:
214-498-4
NSC Number:
103697
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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