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1153949-11-1 | 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester
CAS No: 1153949-11-1 Catalog No: AG000FWP MDL No:MFCD12761241
Product Description
Catalog Number:
AG000FWP
Chemical Name:
1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester
CAS Number:
1153949-11-1
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD12761241
IUPAC Name:
tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
InChI:
InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3
InChI Key:
BESFCRTTXQYNBW-UHFFFAOYSA-N
SMILES:
N#CC=C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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