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114094-83-6 | 3-Cyclobutene-1,2-dione, 3-butyl-
CAS No: 114094-83-6 Catalog No: AG000AJB MDL No:
Product Description
Catalog Number:
AG000AJB
Chemical Name:
3-Cyclobutene-1,2-dione, 3-butyl-
CAS Number:
114094-83-6
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
3-butylcyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C8H10O2/c1-2-3-4-6-5-7(9)8(6)10/h5H,2-4H2,1H3
InChI Key:
BIKFZZNOPIRBIC-UHFFFAOYSA-N
SMILES:
CCCCC1=CC(=O)C1=O
Properties
Complexity:
201
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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