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1363381-76-3 | 1-Azetidinecarboxylic acid, 3-ethynyl-3-methyl-, 1,1-dimethylethyl ester
CAS No: 1363381-76-3 Catalog No: AG0011PG MDL No:MFCD22566173
Product Description
Catalog Number:
AG0011PG
Chemical Name:
1-Azetidinecarboxylic acid, 3-ethynyl-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
1363381-76-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD22566173
IUPAC Name:
tert-butyl 3-ethynyl-3-methylazetidine-1-carboxylate
InChI:
InChI=1S/C11H17NO2/c1-6-11(5)7-12(8-11)9(13)14-10(2,3)4/h1H,7-8H2,2-5H3
InChI Key:
RABXYAIWJAIARE-UHFFFAOYSA-N
SMILES:
C#CC1(C)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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