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1197-20-2 | 1,2-Propanedione, 1-(5-methyl-2-furanyl)-
CAS No: 1197-20-2 Catalog No: AG000PGX MDL No:MFCD24693944
Product Description
Catalog Number:
AG000PGX
Chemical Name:
1,2-Propanedione, 1-(5-methyl-2-furanyl)-
CAS Number:
1197-20-2
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD24693944
IUPAC Name:
1-(5-methylfuran-2-yl)propane-1,2-dione
InChI:
InChI=1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3
InChI Key:
CSILYJHAPLAXTQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C(=O)C(=O)C
EC Number:
214-820-3
UNII:
1R75B93FCI
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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