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10172-51-7 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-phenyl-
CAS No: 10172-51-7 Catalog No: AG0005BB MDL No:
Product Description
Catalog Number:
AG0005BB
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-phenyl-
CAS Number:
10172-51-7
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
WGTCMJBJRPKENJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN=C2c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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