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1236144-52-7 | 3-Azetidinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1)
CAS No: 1236144-52-7 Catalog No: AG000KVF MDL No:
Product Description
Catalog Number:
AG000KVF
Chemical Name:
3-Azetidinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1)
CAS Number:
1236144-52-7
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
acetic acid;tert-butyl azetidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2.C2H4O2/c1-8(2,3)11-7(10)6-4-9-5-6;1-2(3)4/h6,9H,4-5H2,1-3H3;1H3,(H,3,4)
InChI Key:
ZAYKPGRYPKUMLW-UHFFFAOYSA-N
SMILES:
O=C(C1CNC1)OC(C)(C)C.CC(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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