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1498514-60-5 | 5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CAS No: 1498514-60-5 Catalog No: AG01BC9M MDL No:MFCD21032407
Product Description
Catalog Number:
AG01BC9M
Chemical Name:
5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CAS Number:
1498514-60-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD21032407
IUPAC Name:
5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H17NO4/c1-13(8-14-12(15)18-13)7-9-4-5-10(16-2)11(6-9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChI Key:
LFXYBGLDSWDJNE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1(C)CNC(=O)O1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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