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1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Formula: C13H17NO3

SMILES: COC1=CC=C(CN2CCCC2C(O)=O)C=C1

IUPAC: 1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1/C13H17NO3/c1-17-11-6-4-10(5-7-11)9-14-8-2-3-12(14)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 235.120843411
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WWZHGZMJBQBOAR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.43
Topological Polar Surface Area 49.77
Polarizability 25.2
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C13H17NO3 $404.27$404.27
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