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1236861-59-8 | 1-Azetidinecarboxylic acid, 3-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1236861-59-8 Catalog No: AG000KX8 MDL No:MFCD20528851
Product Description
Catalog Number:
AG000KX8
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1236861-59-8
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD20528851
IUPAC Name:
tert-butyl 3-pyrimidin-2-ylazetidine-1-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-7-9(8-15)10-13-5-4-6-14-10/h4-6,9H,7-8H2,1-3H3
InChI Key:
IPHKADORQLZWSI-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)c1ncccn1)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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