Home Carboxys benzyl azetidine-3-carboxylate hydrochloride

benzyl azetidine-3-carboxylate hydrochloride

CAS No.:
1443979-76-7
Catalog Number:
AG01A57A
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
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Product Description
Catalog Number:
AG01A57A
Chemical Name:
benzyl azetidine-3-carboxylate hydrochloride
CAS Number:
1443979-76-7
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD20528804
IUPAC Name:
benzyl azetidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c13-11(10-6-12-7-10)14-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChI Key:
DFAUYTXJVMVKAQ-UHFFFAOYSA-N
SMILES:
O=C(C1CNC1)OCc1ccccc1.Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties