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831235-65-5 | 3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-
CAS No: 831235-65-5 Catalog No: AG004W0P MDL No:
Product Description
Catalog Number:
AG004W0P
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-
CAS Number:
831235-65-5
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
2-methyl-4-quinolin-4-ylbut-3-yn-2-ol
InChI:
InChI=1S/C14H13NO/c1-14(2,16)9-7-11-8-10-15-13-6-4-3-5-12(11)13/h3-6,8,10,16H,1-2H3
InChI Key:
DOPUFNSCVWMXST-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccnc2c1cccc2)(O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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