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methyl 4-(pyrrolidine-1-carbonyl)benzoate

methyl 4-(pyrrolidine-1-carbonyl)benzoate

CAS: 210963-73-8

Formula: C13H15NO3

SMILES: COC(=O)C1=CC=C(C=C1)C(=O)N1CCCC1

IUPAC: methyl 4-(pyrrolidine-1-carbonyl)benzoate

InChI: InChI=1S/C13H15NO3/c1-17-13(16)11-6-4-10(5-7-11)12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.105193347
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UHWVTOYUVOZTQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.5
Topological Polar Surface Area 46.61
Polarizability 24.23
Ring Count 2
Rotatable Bond Count 3

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