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1234710-02-1 | 1-Azetidinecarboxylic acid, 3-(1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1234710-02-1 Catalog No: AG000KNO MDL No:MFCD17926163
Product Description
Catalog Number:
AG000KNO
Chemical Name:
1-Azetidinecarboxylic acid, 3-(1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1234710-02-1
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD17926163
IUPAC Name:
tert-butyl 3-(1H-imidazol-2-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-8(7-14)9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChI Key:
MYJQGRRBPAEGGW-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)c1ncc[nH]1)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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