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Home > Other Heterocycles > 10036-09-6
10036-09-6 | Bicyclo[3.3.1]nonan-3-one
CAS No: 10036-09-6 Catalog No: AG0001PF MDL No:MFCD11502418
Product Description
Catalog Number:
AG0001PF
Chemical Name:
Bicyclo[3.3.1]nonan-3-one
CAS Number:
10036-09-6
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD11502418
IUPAC Name:
bicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C9H14O/c10-9-5-7-2-1-3-8(4-7)6-9/h7-8H,1-6H2
InChI Key:
ANFLIDKLELMAAQ-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)C2
NSC Number:
125346
Properties
Complexity:
137
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
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