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866250-78-4 | 4-(3,5-Dimethyl-pyridin-4-yl)-butan-1-ol
CAS No: 866250-78-4 Catalog No: AG01EXZL MDL No:
Product Description
Catalog Number:
AG01EXZL
Chemical Name:
4-(3,5-Dimethyl-pyridin-4-yl)-butan-1-ol
CAS Number:
866250-78-4
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
4-(3,5-dimethylpyridin-4-yl)butan-1-ol
InChI:
InChI=1S/C11H17NO/c1-9-7-12-8-10(2)11(9)5-3-4-6-13/h7-8,13H,3-6H2,1-2H3
InChI Key:
JCNASDOOWHYKNA-UHFFFAOYSA-N
SMILES:
OCCCCc1c(C)cncc1C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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