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14219-09-1 | 2,5-Furandione, dihydro-3-methyl-4-methylene-
CAS No: 14219-09-1 Catalog No: AG001HXU MDL No:
Product Description
Catalog Number:
AG001HXU
Chemical Name:
2,5-Furandione, dihydro-3-methyl-4-methylene-
CAS Number:
14219-09-1
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
IUPAC Name:
3-methyl-4-methylideneoxolane-2,5-dione
InChI:
InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h4H,1H2,2H3
InChI Key:
CMTRLIROAHANBX-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C1=C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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