Home Other Building Blocks 5-METHYL-2,3-DIHYDRO-1-BENZOFURAN-2,3-DIONE

5-METHYL-2,3-DIHYDRO-1-BENZOFURAN-2,3-DIONE

CAS No.:
49753-63-1
Catalog Number:
AG01DWG6
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
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Product Description
Catalog Number:
AG01DWG6
Chemical Name:
5-METHYL-2,3-DIHYDRO-1-BENZOFURAN-2,3-DIONE
CAS Number:
49753-63-1
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
MDL Number:
MFCD24690631
IUPAC Name:
5-methyl-1-benzofuran-2,3-dione
InChI:
InChI=1S/C9H6O3/c1-5-2-3-7-6(4-5)8(10)9(11)12-7/h2-4H,1H3
InChI Key:
MLICVJMDYHGISD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(=O)O2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.144g/mol
Monoisotopic Mass:
162.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties