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3-hydroxypropyl pyridine-3-carboxylate

3-hydroxypropyl pyridine-3-carboxylate

CAS: 101952-65-2

Formula: C9H11NO3

SMILES: OCCCOC(=O)C1=CC=CN=C1

IUPAC: 3-hydroxypropyl pyridine-3-carboxylate

InChI: InChI=1S/C9H11NO3/c11-5-2-6-13-9(12)8-3-1-4-10-7-8/h1,3-4,7,11H,2,5-6H2

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.073893218
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OVVPXBCSMMGCTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.08
Topological Polar Surface Area 59.42
Polarizability 18.19
Ring Count 1
Rotatable Bond Count 5

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