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83920-63-2 | 2H-Pyran-2,4(3H)-dione, 5-(4-methoxyphenyl)-
CAS No: 83920-63-2 Catalog No: AG005330 MDL No:
Product Description
Catalog Number:
AG005330
Chemical Name:
2H-Pyran-2,4(3H)-dione, 5-(4-methoxyphenyl)-
CAS Number:
83920-63-2
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
5-(4-methoxyphenyl)pyran-2,4-dione
InChI:
InChI=1S/C12H10O4/c1-15-9-4-2-8(3-5-9)10-7-16-12(14)6-11(10)13/h2-5,7H,6H2,1H3
InChI Key:
SPPFRBSLTSJYEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=COC(=O)CC1=O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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