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121277-71-2 | 4-(quinolin-2-yl)but-3-yn-1-ol
CAS No: 121277-71-2 Catalog No: AG01ACFZ MDL No:MFCD26936024
Product Description
Catalog Number:
AG01ACFZ
Chemical Name:
4-(quinolin-2-yl)but-3-yn-1-ol
CAS Number:
121277-71-2
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD26936024
IUPAC Name:
4-quinolin-2-ylbut-3-yn-1-ol
InChI:
InChI=1S/C13H11NO/c15-10-4-3-6-12-9-8-11-5-1-2-7-13(11)14-12/h1-2,5,7-9,15H,4,10H2
InChI Key:
UJPQWEHDJAJEHR-UHFFFAOYSA-N
SMILES:
OCCC#Cc1ccc2c(n1)cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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