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97628-92-7 | 1-Cbz-Azetidine-3-carboxylic acid
CAS No: 97628-92-7 Catalog No: AG003D28 MDL No:MFCD09027504
Product Description
Catalog Number:
AG003D28
Chemical Name:
1-Cbz-Azetidine-3-carboxylic acid
CAS Number:
97628-92-7
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD09027504
IUPAC Name:
1-phenylmethoxycarbonylazetidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChI Key:
PVJPBKZGIUAESY-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)C(=O)O)OCc1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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