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1017540-91-8 | 3-Azaspiro[5.5]undecane-9-acetic acid, methyl ester, hydrochloride (1:1)
CAS No: 1017540-91-8 Catalog No: AG0005EC MDL No:MFCD28501529
Product Description
Catalog Number:
AG0005EC
Chemical Name:
3-Azaspiro[5.5]undecane-9-acetic acid, methyl ester, hydrochloride (1:1)
CAS Number:
1017540-91-8
Molecular Formula:
C13H24ClNO2
Molecular Weight:
261.7882
MDL Number:
MFCD28501529
IUPAC Name:
methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride
InChI:
InChI=1S/C13H23NO2.ClH/c1-16-12(15)10-11-2-4-13(5-3-11)6-8-14-9-7-13;/h11,14H,2-10H2,1H3;1H
InChI Key:
JJLDFWAJKSRBSJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCC2(CC1)CCNCC2.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.15g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.79g/mol
Monoisotopic Mass:
261.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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