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55384-91-3 | 2-Methyl-4-(pyridin-4-yl)but-3-yn-2-ol
CAS No: 55384-91-3 Catalog No: AG01EWFZ MDL No:
Product Description
Catalog Number:
AG01EWFZ
Chemical Name:
2-Methyl-4-(pyridin-4-yl)but-3-yn-2-ol
CAS Number:
55384-91-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
2-methyl-4-pyridin-4-ylbut-3-yn-2-ol
InChI:
InChI=1S/C10H11NO/c1-10(2,12)6-3-9-4-7-11-8-5-9/h4-5,7-8,12H,1-2H3
InChI Key:
NGSXJRCHFJDUGD-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccncc1)(O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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