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35967-11-4 | (4-methylisoquinolin-1-yl)methanol
CAS No: 35967-11-4 Catalog No: AG01BTDU MDL No:MFCD26667801
Product Description
Catalog Number:
AG01BTDU
Chemical Name:
(4-methylisoquinolin-1-yl)methanol
CAS Number:
35967-11-4
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD26667801
IUPAC Name:
(4-methylisoquinolin-1-yl)methanol
InChI:
InChI=1S/C11H11NO/c1-8-6-12-11(7-13)10-5-3-2-4-9(8)10/h2-6,13H,7H2,1H3
InChI Key:
BNFVEOHEPDSYKN-UHFFFAOYSA-N
SMILES:
OCc1ncc(c2c1cccc2)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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