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1-(4-nitrophenyl)pyrrolidine-2-carboxylic acid

1-(4-nitrophenyl)pyrrolidine-2-carboxylic acid

CAS: 122092-18-6

Formula: C11H12N2O4

SMILES: OC(=O)C1CCCN1C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-(4-nitrophenyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1/C11H12N2O4/c14-11(15)10-2-1-7-12(10)8-3-5-9(6-4-8)13(16)17/h3-6,10H,1-2,7H2,(H,14,15)

Composition: C (55.93%), H (5.12%), N (11.86%), O (27.09%)

Molar Mass: 236.227

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 236.079706874
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RKUGUORNGRELOH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.18
Topological Polar Surface Area 83.68
Polarizability 22.42
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 122092-18-6 $156.15$156.15
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