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Home > Other Heterocycles > 20061-22-7
20061-22-7 | Spiro[2.3]hexan-5-one
CAS No: 20061-22-7 Catalog No: AG002CUO MDL No:MFCD23884029
Product Description
Catalog Number:
AG002CUO
Chemical Name:
Spiro[2.3]hexan-5-one
CAS Number:
20061-22-7
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD23884029
IUPAC Name:
spiro[2.3]hexan-5-one
InChI:
InChI=1S/C6H8O/c7-5-3-6(4-5)1-2-6/h1-4H2
InChI Key:
MKWQOXREXMKNOA-UHFFFAOYSA-N
SMILES:
O=C1CC2(C1)CC2
Properties
Complexity:
112
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:
0.7
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