Home Other Building Blocks octahydro-1H-inden-2-one, Mixture of diastereomers

octahydro-1H-inden-2-one, Mixture of diastereomers

CAS No.:
41894-93-3
Catalog Number:
AG01BJFI
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
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Product Description
Catalog Number:
AG01BJFI
Chemical Name:
octahydro-1H-inden-2-one, Mixture of diastereomers
CAS Number:
41894-93-3
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD24688221
IUPAC Name:
1,3,3a,4,5,6,7,7a-octahydroinden-2-one
InChI:
InChI=1S/C9H14O/c10-9-5-7-3-1-2-4-8(7)6-9/h7-8H,1-6H2
InChI Key:
HAMUKWWZXAKCAU-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)CCCC2
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties