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Home > Other Heterocycles > 790704-73-3
790704-73-3 | 5-Cbz-1-oxa-5-azaspiro[2.4]heptane
CAS No: 790704-73-3 Catalog No: AG00GIOH MDL No:MFCD23105851
Product Description
Catalog Number:
AG00GIOH
Chemical Name:
5-Cbz-1-oxa-5-azaspiro[2.4]heptane
CAS Number:
790704-73-3
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD23105851
IUPAC Name:
benzyl 1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
InChI:
InChI=1S/C13H15NO3/c15-12(14-7-6-13(9-14)10-17-13)16-8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
VCBLXRNFGAAMHH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)CO2)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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