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5-[(3-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

5-[(3-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

CAS: 926216-07-1

Formula: C12H17NO3

SMILES: CC1CCCN(CC2=CC=C(O2)C(O)=O)C1

IUPAC: 5-[(3-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

InChI: InChI=1/C12H17NO3/c1-9-3-2-6-13(7-9)8-10-4-5-11(16-10)12(14)15/h4-5,9H,2-3,6-8H2,1H3,(H,14,15)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 223.120843411
Formal Charge 0
FSP3 0.58
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KGXNIYZKBVFNRF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.74
Topological Polar Surface Area 53.68
Polarizability 23.23
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 926216-07-1 $269.51$269.51
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