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26278-65-9 | 1(2H)-Isoquinolinone, 3,4-dihydro-3,3-dimethyl-
CAS No: 26278-65-9 Catalog No: AG002SKQ MDL No:MFCD01559457
Product Description
Catalog Number:
AG002SKQ
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-3,3-dimethyl-
CAS Number:
26278-65-9
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD01559457
IUPAC Name:
3,3-dimethyl-2,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C11H13NO/c1-11(2)7-8-5-3-4-6-9(8)10(13)12-11/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
YKISAKLZEVDYGO-UHFFFAOYSA-N
SMILES:
O=C1NC(C)(C)Cc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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