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1228581-13-2 | 1-Azetidinecarboxylic acid, 3-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1228581-13-2 Catalog No: AG000JM3 MDL No:MFCD24856922
Product Description
Catalog Number:
AG000JM3
Chemical Name:
1-Azetidinecarboxylic acid, 3-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1228581-13-2
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD24856922
IUPAC Name:
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-9(2,3)15-8(14)12-5-10(4-11,6-12)7-13/h13H,5-7H2,1-3H3
InChI Key:
PBBOGMQFWAYUKJ-UHFFFAOYSA-N
SMILES:
OCC1(C#N)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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