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1259034-35-9 | 1-Azetidinecarboxylic acid, 3-ethynyl-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1259034-35-9 Catalog No: AG000OXJ MDL No:MFCD21324699
Product Description
Catalog Number:
AG000OXJ
Chemical Name:
1-Azetidinecarboxylic acid, 3-ethynyl-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1259034-35-9
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD21324699
IUPAC Name:
tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
InChI:
InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3
InChI Key:
VAWFBGXKDDJABY-UHFFFAOYSA-N
SMILES:
C#CC1(O)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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