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78625-06-6 | 3-Butyn-2-ol, 2-methyl-4-(3-quinolinyl)-
CAS No: 78625-06-6 Catalog No: AG005K2S MDL No:
Product Description
Catalog Number:
AG005K2S
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-(3-quinolinyl)-
CAS Number:
78625-06-6
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
2-methyl-4-quinolin-3-ylbut-3-yn-2-ol
InChI:
InChI=1S/C14H13NO/c1-14(2,16)8-7-11-9-12-5-3-4-6-13(12)15-10-11/h3-6,9-10,16H,1-2H3
InChI Key:
IVPMDSGKLMYOTC-UHFFFAOYSA-N
SMILES:
CC(C#Cc1cnc2c(c1)cccc2)(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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