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10349-56-1 | 1-Isoquinolinemethanol,a-[(methylsulfinyl)methyl]-a-phenyl-
CAS No: 10349-56-1 Catalog No: AG0085NR MDL No:
Product Description
Catalog Number:
AG0085NR
Chemical Name:
1-Isoquinolinemethanol,a-[(methylsulfinyl)methyl]-a-phenyl-
CAS Number:
10349-56-1
Molecular Formula:
C18H17NO2S
Molecular Weight:
311.3981
IUPAC Name:
1-isoquinolin-1-yl-2-methylsulfinyl-1-phenylethanol
InChI:
InChI=1S/C18H17NO2S/c1-22(21)13-18(20,15-8-3-2-4-9-15)17-16-10-6-5-7-14(16)11-12-19-17/h2-12,20H,13H2,1H3
InChI Key:
SRALUZXSTMYRKP-UHFFFAOYSA-N
SMILES:
CS(=O)CC(c1nccc2c1cccc2)(c1ccccc1)O
NSC Number:
93437
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.399g/mol
Monoisotopic Mass:
311.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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