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918891-40-4 | 2-Azetidinone, 3-ethylidene-4-phenyl-1-(2-thiazolyl)-, (3Z)-
CAS No: 918891-40-4 Catalog No: AG006MGR MDL No:
Product Description
Catalog Number:
AG006MGR
Chemical Name:
2-Azetidinone, 3-ethylidene-4-phenyl-1-(2-thiazolyl)-, (3Z)-
CAS Number:
918891-40-4
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
IUPAC Name:
3-ethylidene-4-phenyl-1-(1,3-thiazol-2-yl)azetidin-2-one
InChI:
InChI=1S/C14H12N2OS/c1-2-11-12(10-6-4-3-5-7-10)16(13(11)17)14-15-8-9-18-14/h2-9,12H,1H3
InChI Key:
OTANVBLKFQRONX-UHFFFAOYSA-N
SMILES:
C/C=C/1\C(=O)N(C1c1ccccc1)c1nccs1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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