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113779-01-4 | 2-Azetidinone, 4-(ethoxyphenylmethylene)-1,3-dimethyl-
CAS No: 113779-01-4 Catalog No: AG0009ND MDL No:
Product Description
Catalog Number:
AG0009ND
Chemical Name:
2-Azetidinone, 4-(ethoxyphenylmethylene)-1,3-dimethyl-
CAS Number:
113779-01-4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
4-[ethoxy(phenyl)methylidene]-1,3-dimethylazetidin-2-one
InChI:
InChI=1S/C14H17NO2/c1-4-17-13(11-8-6-5-7-9-11)12-10(2)14(16)15(12)3/h5-10H,4H2,1-3H3
InChI Key:
OSJWZYJBCMEPDY-UHFFFAOYSA-N
SMILES:
CCOC(=C1C(C)C(=O)N1C)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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