Home Carboxys benzyl 3-ethyl-3-hydroxyazetidine-1-carboxylate

benzyl 3-ethyl-3-hydroxyazetidine-1-carboxylate

CAS No.:
1356109-43-7
Catalog Number:
AG00A3X6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG00A3X6
Chemical Name:
benzyl 3-ethyl-3-hydroxyazetidine-1-carboxylate
CAS Number:
1356109-43-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD20528764
IUPAC Name:
benzyl 3-ethyl-3-hydroxyazetidine-1-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-2-13(16)9-14(10-13)12(15)17-8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3
InChI Key:
WZZAGMKRKYZLFT-UHFFFAOYSA-N
SMILES:
CCC1(O)CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties