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tert-butyl 2-[3-(ethoxycarbonyl)phenyl]pyrrolidine-1-carboxylate

tert-butyl 2-[3-(ethoxycarbonyl)phenyl]pyrrolidine-1-carboxylate

CAS: 1373223-31-4

Formula: C18H25NO4

SMILES: CCOC(=O)C1=CC=CC(=C1)C1CCCN1C(=O)OC(C)(C)C

IUPAC: tert-butyl 2-[3-(ethoxycarbonyl)phenyl]pyrrolidine-1-carboxylate

InChI: InChI=1/C18H25NO4/c1-5-22-16(20)14-9-6-8-13(12-14)15-10-7-11-19(15)17(21)23-18(2,3)4/h6,8-9,12,15H,5,7,10-11H2,1-4H3

Composition: C (67.69%), H (7.89%), N (4.39%), O (20.04%)

Molar Mass: 319.401

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 319.178358289
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZWRTWRRZEZUJSL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.29
Topological Polar Surface Area 55.84
Polarizability 34.34
Ring Count 2
Rotatable Bond Count 6

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97% <2 Days 1373223-31-4 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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