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94004-77-0 | 1-(4-METHOXYPHENYL)-2-(QUINOLIN-2-YL)ETHANOL
CAS No: 94004-77-0 Catalog No: AG005W39 MDL No:MFCD03452779
Product Description
Catalog Number:
AG005W39
Chemical Name:
1-(4-METHOXYPHENYL)-2-(QUINOLIN-2-YL)ETHANOL
CAS Number:
94004-77-0
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD03452779
IUPAC Name:
1-(4-methoxyphenyl)-2-quinolin-2-ylethanol
InChI:
InChI=1S/C18H17NO2/c1-21-16-10-7-14(8-11-16)18(20)12-15-9-6-13-4-2-3-5-17(13)19-15/h2-11,18,20H,12H2,1H3
InChI Key:
FBZNXNGYOHLNQT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(Cc1ccc2c(n1)cccc2)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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