benzyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate

benzyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate

CAS: 1439373-46-2

Formula: C13H17NO4

SMILES: OC[C@@H]1CN(CCO1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate

InChI: InChI=1S/C13H17NO4/c15-9-12-8-14(6-7-17-12)13(16)18-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.115758031
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JQVTXHHMCVAPDT-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.53
Topological Polar Surface Area	59
Polarizability	25.73
Ring Count	2
Rotatable Bond Count	4

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