Home Other Building Blocks 1,2,2a,3,4,5-hexahydroacenaphthylen-1-one

1,2,2a,3,4,5-hexahydroacenaphthylen-1-one

CAS No.:
63328-18-7
Catalog Number:
AG01A3G7
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
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Product Description
Catalog Number:
AG01A3G7
Chemical Name:
1,2,2a,3,4,5-hexahydroacenaphthylen-1-one
CAS Number:
63328-18-7
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD01851631
IUPAC Name:
3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one
InChI:
InChI=1S/C12H12O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h2,4,6,9H,1,3,5,7H2
InChI Key:
VJGRLMALXXVDDV-UHFFFAOYSA-N
SMILES:
O=C1CC2c3c1cccc3CCC2
Properties
Complexity:
233  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties