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100378-66-3 | 2,5-Furandione, 3-butyl-
CAS No: 100378-66-3 Catalog No: AG0001T8 MDL No:
Product Description
Catalog Number:
AG0001T8
Chemical Name:
2,5-Furandione, 3-butyl-
CAS Number:
100378-66-3
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
3-butylfuran-2,5-dione
InChI:
InChI=1S/C8H10O3/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
InChI Key:
CDVFNBYSWJAEPJ-UHFFFAOYSA-N
SMILES:
CCCCC1=CC(=O)OC1=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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