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4939-28-0 | (2-METHYL-QUINOLIN-4-YL)-METHANOL
CAS No: 4939-28-0 Catalog No: AG00DE4H MDL No:MFCD07371472
Product Description
Catalog Number:
AG00DE4H
Chemical Name:
(2-METHYL-QUINOLIN-4-YL)-METHANOL
CAS Number:
4939-28-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD07371472
IUPAC Name:
(2-methylquinolin-4-yl)methanol
InChI:
InChI=1S/C11H11NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChI Key:
MNDWQNXETQDJMZ-UHFFFAOYSA-N
SMILES:
OCc1cc(C)nc2c1cccc2
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:
1.7
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