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138196-86-8 | 2(5H)-Furanone, 3-methoxy-4-(4-methoxybenzoyl)-
CAS No: 138196-86-8 Catalog No: AG00188X MDL No:
Product Description
Catalog Number:
AG00188X
Chemical Name:
2(5H)-Furanone, 3-methoxy-4-(4-methoxybenzoyl)-
CAS Number:
138196-86-8
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
4-methoxy-3-(4-methoxybenzoyl)-2H-furan-5-one
InChI:
InChI=1S/C13H12O5/c1-16-9-5-3-8(4-6-9)11(14)10-7-18-13(15)12(10)17-2/h3-6H,7H2,1-2H3
InChI Key:
NHGXPEMBABPQMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C1=C(OC)C(=O)OC1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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