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20571-15-7 | spiro[2.3]hexan-4-one
CAS No: 20571-15-7 Catalog No: AG002ABH MDL No:MFCD00604224
Product Description
Catalog Number:
AG002ABH
Chemical Name:
spiro[2.3]hexan-4-one
CAS Number:
20571-15-7
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD00604224
IUPAC Name:
spiro[2.3]hexan-6-one
InChI:
InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2
InChI Key:
OIRNAOWGCPSZCJ-UHFFFAOYSA-N
SMILES:
O=C1CCC21CC2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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