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151336-25-3 | 2-Azetidinone, 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-
CAS No: 151336-25-3 Catalog No: AG001N9X MDL No:
Product Description
Catalog Number:
AG001N9X
Chemical Name:
2-Azetidinone, 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-
CAS Number:
151336-25-3
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-9-6-13(15)14(9)8-10-4-5-11(16-2)12(7-10)17-3/h4-5,7,9H,6,8H2,1-3H3
InChI Key:
OZVPAWQYJCCCLS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CN1C(C)CC1=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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