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1219220-82-2 | 1-Azetidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester
CAS No: 1219220-82-2 Catalog No: AG0016EV MDL No:MFCD08274992
Product Description
Catalog Number:
AG0016EV
Chemical Name:
1-Azetidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester
CAS Number:
1219220-82-2
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD08274992
IUPAC Name:
tert-butyl 2-carbamoylazetidine-1-carboxylate
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)
InChI Key:
NDEIKFCAPOYPHU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC1C(=O)N)OC(C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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