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158602-35-8 | 3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS No: 158602-35-8 Catalog No: AG001QCB MDL No:MFCD11616049
Product Description
Catalog Number:
AG001QCB
Chemical Name:
3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS Number:
158602-35-8
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD11616049
IUPAC Name:
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
HTYZZXUWPRCEIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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