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83536-59-8 | 4,5-dimethylisobenzofuran-1,3-dione
CAS No: 83536-59-8 Catalog No: AG004ZNF MDL No:
Product Description
Catalog Number:
AG004ZNF
Chemical Name:
4,5-dimethylisobenzofuran-1,3-dione
CAS Number:
83536-59-8
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
4,5-dimethyl-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H8O3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3-4H,1-2H3
InChI Key:
JFHFMHPKOSJJTE-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c(C)c(cc2)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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