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4-(pyridin-4-yl)but-3-yn-1-ol

4-(pyridin-4-yl)but-3-yn-1-ol

CAS: 192643-83-7

Formula: C9H9NO

SMILES: OCCC#CC1=CC=NC=C1

IUPAC: 4-(pyridin-4-yl)but-3-yn-1-ol

InChI: InChI=1S/C9H9NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,2,8H2

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 147.068413914
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VQXIXEAYMBFYMT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.1
Topological Polar Surface Area 33.12
Polarizability 16.3
Ring Count 1
Rotatable Bond Count 3

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