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147610-98-8 | 7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylmethyl ester
CAS No: 147610-98-8 Catalog No: AG001F19 MDL No:MFCD10000572
Product Description
Catalog Number:
AG001F19
Chemical Name:
7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylmethyl ester
CAS Number:
147610-98-8
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
MDL Number:
MFCD10000572
IUPAC Name:
benzyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C16H19NO3/c18-14-10-16(11-14)6-8-17(9-7-16)15(19)20-12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChI Key:
RPSFFDLCJFAYIP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(=O)C2)OCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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