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2060035-19-8 | 4-methyl-1-(pyridin-3-yl)pent-3-en-1-ol
CAS No: 2060035-19-8 Catalog No: AG01B6MU MDL No:MFCD30497515
Product Description
Catalog Number:
AG01B6MU
Chemical Name:
4-methyl-1-(pyridin-3-yl)pent-3-en-1-ol
CAS Number:
2060035-19-8
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD30497515
IUPAC Name:
4-methyl-1-pyridin-3-ylpent-3-en-1-ol
InChI:
InChI=1S/C11H15NO/c1-9(2)5-6-11(13)10-4-3-7-12-8-10/h3-5,7-8,11,13H,6H2,1-2H3
InChI Key:
KKQMDYOXIAKHBH-UHFFFAOYSA-N
SMILES:
CC(=CCC(c1cccnc1)O)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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