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benzyl 1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate

benzyl 1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate

CAS: 528594-63-0

Formula: C15H19NO4

SMILES: O=C(OCC1=CC=CC=C1)N1CCCC2(C1)OCCO2

IUPAC: benzyl 1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate

InChI: InChI=1S/C15H19NO4/c17-14(18-11-13-5-2-1-3-6-13)16-8-4-7-15(12-16)19-9-10-20-15/h1-3,5-6H,4,7-12H2

Composition: C (64.97%), H (6.91%), N (5.05%), O (23.08%)

Molar Mass: 277.32

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.131408096
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YQKVAGMIRIPXJO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.11
Topological Polar Surface Area 48
Polarizability 28.75
Ring Count 3
Rotatable Bond Count 3

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