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21796-14-5 | 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE
CAS No: 21796-14-5 Catalog No: AG00BFRV MDL No:
Product Description
Catalog Number:
AG00BFRV
Chemical Name:
7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE
CAS Number:
21796-14-5
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
InChI:
InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
InChI Key:
VSOJKDUWYQCWFM-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc1OCOc1c2
NSC Number:
201020
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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