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827310-48-5 | 8-Isoquinolinol, 1,2,3,4-tetrahydro-2-(2-thienylmethyl)-
CAS No: 827310-48-5 Catalog No: AG008JBC MDL No:
Product Description
Catalog Number:
AG008JBC
Chemical Name:
8-Isoquinolinol, 1,2,3,4-tetrahydro-2-(2-thienylmethyl)-
CAS Number:
827310-48-5
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-ol
InChI:
InChI=1S/C14H15NOS/c16-14-5-1-3-11-6-7-15(10-13(11)14)9-12-4-2-8-17-12/h1-5,8,16H,6-7,9-10H2
InChI Key:
RUFGWASEQYRJHR-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1CN(CC2)Cc1cccs1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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