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1140510-99-1 | 1-Azetidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1140510-99-1 Catalog No: AG000AF4 MDL No:MFCD08751345
Product Description
Catalog Number:
AG000AF4
Chemical Name:
1-Azetidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1140510-99-1
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD08751345
IUPAC Name:
tert-butyl 2-oxoazetidine-1-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-5-4-6(9)10/h4-5H2,1-3H3
InChI Key:
URGXFCXAAYSLPO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC1=O)OC(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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