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1257294-13-5 | 1-Azetidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester
CAS No: 1257294-13-5 Catalog No: AG000OJZ MDL No:MFCD20528710
Product Description
Catalog Number:
AG000OJZ
Chemical Name:
1-Azetidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester
CAS Number:
1257294-13-5
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD20528710
IUPAC Name:
benzyl 3-hydroxy-3-methylazetidine-1-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-12(15)8-13(9-12)11(14)16-7-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChI Key:
PTYNFZICYFFALO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(C)O)OCc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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