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1025029-60-0 | 3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-oxo-, ethyl ester
CAS No: 1025029-60-0 Catalog No: AG0007LX MDL No:MFCD11974391
Product Description
Catalog Number:
AG0007LX
Chemical Name:
3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-oxo-, ethyl ester
CAS Number:
1025029-60-0
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD11974391
IUPAC Name:
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate
InChI:
InChI=1S/C13H21NO5/c1-5-18-11(16)6-10(15)9-7-14(8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
CVLHLSSKQJCGIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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