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113385-79-8 | 2-Azetidinone, 3-ethyl-1-[(4-methoxyphenyl)methyl]-
CAS No: 113385-79-8 Catalog No: AG0008E4 MDL No:
Product Description
Catalog Number:
AG0008E4
Chemical Name:
2-Azetidinone, 3-ethyl-1-[(4-methoxyphenyl)methyl]-
CAS Number:
113385-79-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
3-ethyl-1-[(4-methoxyphenyl)methyl]azetidin-2-one
InChI:
InChI=1S/C13H17NO2/c1-3-11-9-14(13(11)15)8-10-4-6-12(16-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3
InChI Key:
PMFKKCAEFKYYRT-UHFFFAOYSA-N
SMILES:
CCC1CN(C1=O)Cc1ccc(cc1)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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