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Home > Other Heterocycles > 116137-40-7
116137-40-7 | Spiro[2.4]hept-6-en-5-one
CAS No: 116137-40-7 Catalog No: AG000BPI MDL No:
Product Description
Catalog Number:
AG000BPI
Chemical Name:
Spiro[2.4]hept-6-en-5-one
CAS Number:
116137-40-7
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
spiro[2.4]hept-6-en-5-one
InChI:
InChI=1S/C7H8O/c8-6-1-2-7(5-6)3-4-7/h1-2H,3-5H2
InChI Key:
FSKHBFWZOMLCDM-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C1)CC2
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:
1.2
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