benzyl 3-(hydroxymethyl)azetidine-1-carboxylate

benzyl 3-(hydroxymethyl)azetidine-1-carboxylate

CAS: 618446-42-7

Formula: C12H15NO3

SMILES: OCC1CN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-(hydroxymethyl)azetidine-1-carboxylate

InChI: InChI=1S/C12H15NO3/c14-8-11-6-13(7-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BUUQZVRTLWYKDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.38
Topological Polar Surface Area	49.77
Polarizability	23.18
Ring Count	2
Rotatable Bond Count	4

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