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18338-88-0 | 2(5H)-Furanone, 5-butylidene-
CAS No: 18338-88-0 Catalog No: AG0027JO MDL No:
Product Description
Catalog Number:
AG0027JO
Chemical Name:
2(5H)-Furanone, 5-butylidene-
CAS Number:
18338-88-0
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
5-butylidenefuran-2-one
InChI:
InChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h4-6H,2-3H2,1H3
InChI Key:
PZXBJHQMLTXRDW-UHFFFAOYSA-N
SMILES:
CCCC=C1OC(=O)C=C1
EC Number:
242-218-0
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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