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1158750-06-1

1158750-06-1 | 1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, phenylmethyl ester

CAS No: 1158750-06-1 Catalog No: AG000H02 MDL No:MFCD12198511

Product Description

Catalog Number:
AG000H02
Chemical Name:
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, phenylmethyl ester
CAS Number:
1158750-06-1
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
MDL Number:
MFCD12198511
IUPAC Name:
benzyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C17H24N2O2/c20-16(21-14-15-6-2-1-3-7-15)19-12-9-17(10-13-19)8-4-5-11-18-17/h1-3,6-7,18H,4-5,8-14H2
InChI Key:
XPZOSNMGIILVJJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCCCN2)OCc1ccccc1

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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