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benzyl 4-hydroxyazepane-1-carboxylate

benzyl 4-hydroxyazepane-1-carboxylate

CAS: 648418-25-1

Formula: C14H19NO3

SMILES: OC1CCCN(CC1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 4-hydroxyazepane-1-carboxylate

InChI: InChI=1/C14H19NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.136493476
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GJXUQWPNVHGPQC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.86
Topological Polar Surface Area 49.77
Polarizability 26.85
Ring Count 2
Rotatable Bond Count 3

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