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Home > Other Heterocycles > 116137-41-8
116137-41-8 | Spiro[2.4]hept-5-en-4-one
CAS No: 116137-41-8 Catalog No: AG000BPH MDL No:
Product Description
Catalog Number:
AG000BPH
Chemical Name:
Spiro[2.4]hept-5-en-4-one
CAS Number:
116137-41-8
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
spiro[2.4]hept-5-en-7-one
InChI:
InChI=1S/C7H8O/c8-6-2-1-3-7(6)4-5-7/h1-2H,3-5H2
InChI Key:
XCNKMUZHZUXPIS-UHFFFAOYSA-N
SMILES:
O=C1C=CCC21CC2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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