1-benzylpyrrolidine-3-carbonitrile; oxalic acid

1-benzylpyrrolidine-3-carbonitrile; oxalic acid

CAS: 1188265-21-5

Formula: C14H16N2O4

SMILES: OC(=O)C(O)=O.N#CC1CCN(CC2=CC=CC=C2)C1

IUPAC: 1-benzylpyrrolidine-3-carbonitrile; oxalic acid

InChI: InChI=1/C12H14N2.C2H2O4/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,12H,6-7,9-10H2;(H,3,4)(H,5,6)

Composition: C (60.86%), H (5.84%), N (10.14%), O (23.16%)

Molar Mass: 276.292

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	276.111007003
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NLBJMBNDZZMLDI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.21
Topological Polar Surface Area	27.03
Polarizability	22.03
Ring Count	2
Rotatable Bond Count	3

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95%	<8 Days	1188265-21-5		$48.57-$699.43$48.57$145.71$233.14$437.14$699.43

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