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111599-10-1 | 2-Cyclohexen-1-one,3-hydroxy-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS No: 111599-10-1 Catalog No: AG007SNG MDL No:
Product Description
Catalog Number:
AG007SNG
Chemical Name:
2-Cyclohexen-1-one,3-hydroxy-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-
CAS Number:
111599-10-1
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C15H17NO2/c17-12-6-3-7-13(18)14(12)15-11-5-2-1-4-10(11)8-9-16-15/h1-2,4-5,15-17H,3,6-9H2
InChI Key:
ICRXRMSBNBVACL-UHFFFAOYSA-N
SMILES:
OC1=C(C(=O)CCC1)C1NCCc2c1cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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