Home Other Building Blocks 5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one

5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one

CAS No.:
13351-26-3
Catalog Number:
AG009HLI
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009HLI
Chemical Name:
5,9-Methano-6,7,8,9-tetrahydro-5H-benzocycloheptene-7-one
CAS Number:
13351-26-3
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD15071620
IUPAC Name:
tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
InChI:
InChI=1S/C12H12O/c13-10-6-8-5-9(7-10)12-4-2-1-3-11(8)12/h1-4,8-9H,5-7H2
InChI Key:
KEACXSSYYTXFJR-UHFFFAOYSA-N
SMILES:
O=C1CC2CC(C1)c1c2cccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties