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133331-12-1 | 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-
CAS No: 133331-12-1 Catalog No: AG0014NM MDL No:
Product Description
Catalog Number:
AG0014NM
Chemical Name:
3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-
CAS Number:
133331-12-1
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
IUPAC Name:
4-methyl-5-oxo-2H-furan-3-carboxylic acid
InChI:
InChI=1S/C6H6O4/c1-3-4(5(7)8)2-10-6(3)9/h2H2,1H3,(H,7,8)
InChI Key:
RJGPRLADVXLPFK-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)C(=O)OC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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