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1630906-94-3 | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, phenylmethyl ester
CAS No: 1630906-94-3 Catalog No: AG001TQR MDL No:MFCD27987035
Product Description
Catalog Number:
AG001TQR
Chemical Name:
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, phenylmethyl ester
CAS Number:
1630906-94-3
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
MDL Number:
MFCD27987035
IUPAC Name:
benzyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C17H22N2O3/c20-15-17(7-4-10-18-15)8-11-19(12-9-17)16(21)22-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,20)
InChI Key:
HYDIDLMVLFRIDJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCCNC2=O)OCc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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