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1227456-96-3 | 2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, phenylmethyl ester
CAS No: 1227456-96-3 Catalog No: AG000J94 MDL No:
Product Description
Catalog Number:
AG000J94
Chemical Name:
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, phenylmethyl ester
CAS Number:
1227456-96-3
Molecular Formula:
C15H20N2O2
Molecular Weight:
260.3315
IUPAC Name:
benzyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C15H20N2O2/c18-14(19-10-13-4-2-1-3-5-13)17-8-6-15(7-9-17)11-16-12-15/h1-5,16H,6-12H2
InChI Key:
MCCLOIWMYNVJSY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CNC2)OCc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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