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80913-90-2 | 2,3,4(5H)-Furantrione, 5-(4-methylphenyl)-
CAS No: 80913-90-2 Catalog No: AG0050RV MDL No:
Product Description
Catalog Number:
AG0050RV
Chemical Name:
2,3,4(5H)-Furantrione, 5-(4-methylphenyl)-
CAS Number:
80913-90-2
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
5-(4-methylphenyl)oxolane-2,3,4-trione
InChI:
InChI=1S/C11H8O4/c1-6-2-4-7(5-3-6)10-8(12)9(13)11(14)15-10/h2-5,10H,1H3
InChI Key:
OKEFWSQIRMCREF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1OC(=O)C(=O)C1=O
NSC Number:
372272
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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