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82289-96-1 | 2(5H)-Furanone, 5-ethylidene-4-methoxy-, (Z)-
CAS No: 82289-96-1 Catalog No: AG004ZZU MDL No:
Product Description
Catalog Number:
AG004ZZU
Chemical Name:
2(5H)-Furanone, 5-ethylidene-4-methoxy-, (Z)-
CAS Number:
82289-96-1
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
5-ethylidene-4-methoxyfuran-2-one
InChI:
InChI=1S/C7H8O3/c1-3-5-6(9-2)4-7(8)10-5/h3-4H,1-2H3
InChI Key:
XAMLLENLEJPLKK-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)O/C/1=C\C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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