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Home > Pyridines > 235743-08-5
235743-08-5 | 3,5-Hexadiyn-2-ol, 2-methyl-6-(4-pyridinyl)-
CAS No: 235743-08-5 Catalog No: AG002NP8 MDL No:
Product Description
Catalog Number:
AG002NP8
Chemical Name:
3,5-Hexadiyn-2-ol, 2-methyl-6-(4-pyridinyl)-
CAS Number:
235743-08-5
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
2-methyl-6-pyridin-4-ylhexa-3,5-diyn-2-ol
InChI:
InChI=1S/C12H11NO/c1-12(2,14)8-4-3-5-11-6-9-13-10-7-11/h6-7,9-10,14H,1-2H3
InChI Key:
TZXLEZWDOSNOQX-UHFFFAOYSA-N
SMILES:
CC(C#CC#Cc1ccncc1)(O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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