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1227381-84-1 | 1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethoxy)-, 1,1-dimethylethyl ester
CAS No: 1227381-84-1 Catalog No: AG000J8E MDL No:
Product Description
Catalog Number:
AG000J8E
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethoxy)-, 1,1-dimethylethyl ester
CAS Number:
1227381-84-1
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
IUPAC Name:
tert-butyl 3-(2-ethoxy-2-oxoethoxy)azetidine-1-carboxylate
InChI:
InChI=1S/C12H21NO5/c1-5-16-10(14)8-17-9-6-13(7-9)11(15)18-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
XMJMSJRCQIXYQZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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