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29474-19-9

29474-19-9 | Bicyclo[3.2.0]hept-6-en-3-one

CAS No: 29474-19-9 Catalog No: AG002YIK MDL No:

Product Description

Catalog Number:
AG002YIK
Chemical Name:
Bicyclo[3.2.0]hept-6-en-3-one
CAS Number:
29474-19-9
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
bicyclo[3.2.0]hept-6-en-3-one
InChI:
InChI=1S/C7H8O/c8-7-3-5-1-2-6(5)4-7/h1-2,5-6H,3-4H2
InChI Key:
UCDBFMIOHSYYTL-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)C=C2
NSC Number:
311958

Properties

Complexity:
142  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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