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1143525-35-2 | 1,3-Azetidinedicarboxylic acid, 3-methyl-, 1-(phenylmethyl) ester
CAS No: 1143525-35-2 Catalog No: AG000B4P MDL No:MFCD17168405
Product Description
Catalog Number:
AG000B4P
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-methyl-, 1-(phenylmethyl) ester
CAS Number:
1143525-35-2
Molecular Formula:
C13H14NO4-
Molecular Weight:
248.2546
MDL Number:
MFCD17168405
IUPAC Name:
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO4/c1-13(11(15)16)8-14(9-13)12(17)18-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,16)
InChI Key:
YLHQFJUQCHLXKT-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(C)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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