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Home > Other Heterocycles > 4160-49-0
4160-49-0 | Bicyclo[3.1.0]hexan-2-one
CAS No: 4160-49-0 Catalog No: AG0071NP MDL No:MFCD20040018
Product Description
Catalog Number:
AG0071NP
Chemical Name:
Bicyclo[3.1.0]hexan-2-one
CAS Number:
4160-49-0
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD20040018
IUPAC Name:
bicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2
InChI Key:
HFCMQKFXCMZZMZ-UHFFFAOYSA-N
SMILES:
O=C1CCC2C1C2
Properties
Complexity:
117
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| What are the consequences of freezing the anomeric effect in nucleosides? | Nucleic acids symposium series (2004) 20080101 |
| Solution and crystal lattice effects on the photochemistry of 6-substituted cyclohexenones(1)(,)(2). | The Journal of organic chemistry 20030124 |
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