Home Other Building Blocks Tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one

Tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one

CAS No.:
54962-18-4
Catalog Number:
AG00DHRD
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
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Product Description
Catalog Number:
AG00DHRD
Chemical Name:
Tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CAS Number:
54962-18-4
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD18083822
IUPAC Name:
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
InChI:
InChI=1S/C13H14O/c14-13-11-5-6-12(13)8-10-4-2-1-3-9(10)7-11/h1-4,11-12H,5-8H2
InChI Key:
CMCAOQYLMULHEZ-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1Cc1c(C2)cccc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties