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24031-71-8 | 3-(3,4-DIMETHOXYPHENYL)-5(4H)-ISOXAZOLONE
CAS No: 24031-71-8 Catalog No: AG00BRCA MDL No:MFCD09752329
Product Description
Catalog Number:
AG00BRCA
Chemical Name:
3-(3,4-DIMETHOXYPHENYL)-5(4H)-ISOXAZOLONE
CAS Number:
24031-71-8
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD09752329
IUPAC Name:
3-(3,4-dimethoxyphenyl)-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO4/c1-14-9-4-3-7(5-10(9)15-2)8-6-11(13)16-12-8/h3-5H,6H2,1-2H3
InChI Key:
MYGFMUAVKKTGNC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1=NOC(=O)C1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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