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13327-23-6

13327-23-6 | 2-Azetidinecarboxylic acid, 4-oxo-1,2-diphenyl-

CAS No: 13327-23-6 Catalog No: AG0014J5 MDL No:

Product Description

Catalog Number:
AG0014J5
Chemical Name:
2-Azetidinecarboxylic acid, 4-oxo-1,2-diphenyl-
CAS Number:
13327-23-6
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-oxo-1,2-diphenylazetidine-2-carboxylic acid
InChI:
InChI=1S/C16H13NO3/c18-14-11-16(15(19)20,12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChI Key:
IUYPCNSTYOEBOX-UHFFFAOYSA-N
SMILES:
O=C1CC(N1c1ccccc1)(C(=O)O)c1ccccc1

Properties

Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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