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182687-10-1 | 2-Azetidinone, 4-(4-methoxyphenyl)-1-phenyl-, (S)- (9CI)
CAS No: 182687-10-1 Catalog No: AG00241L MDL No:
Product Description
Catalog Number:
AG00241L
Chemical Name:
2-Azetidinone, 4-(4-methoxyphenyl)-1-phenyl-, (S)- (9CI)
CAS Number:
182687-10-1
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
(4S)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
InChI:
InChI=1S/C16H15NO2/c1-19-14-9-7-12(8-10-14)15-11-16(18)17(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m0/s1
InChI Key:
UWCHXMVJYGTEMQ-HNNXBMFYSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CC(=O)N1c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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