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128117-22-6 | 1-Azetidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester
CAS No: 128117-22-6 Catalog No: AG000XSX MDL No:MFCD09037849
Product Description
Catalog Number:
AG000XSX
Chemical Name:
1-Azetidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester
CAS Number:
128117-22-6
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD09037849
IUPAC Name:
benzyl 3-hydroxyazetidine-1-carboxylate
InChI:
InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChI Key:
XJWSNDGCJMGHSR-UHFFFAOYSA-N
SMILES:
OC1CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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