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142253-58-5 | 1-Azetidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS No: 142253-58-5 Catalog No: AG001I2B MDL No:MFCD11035913
Product Description
Catalog Number:
AG001I2B
Chemical Name:
1-Azetidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS Number:
142253-58-5
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD11035913
IUPAC Name:
tert-butyl 3-(cyanomethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4,6-7H2,1-3H3
InChI Key:
QRZNHJHKTCPFAO-UHFFFAOYSA-N
SMILES:
N#CCC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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