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Home > Other Heterocycles > 115913-30-9
115913-30-9 | Ethanone, 1,1'-bicyclo[1.1.1]pentane-1,3-diylbis-
CAS No: 115913-30-9 Catalog No: AG000H3M MDL No:MFCD23164149
Product Description
Catalog Number:
AG000H3M
Chemical Name:
Ethanone, 1,1'-bicyclo[1.1.1]pentane-1,3-diylbis-
CAS Number:
115913-30-9
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD23164149
IUPAC Name:
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
InChI:
InChI=1S/C9H12O2/c1-6(10)8-3-9(4-8,5-8)7(2)11/h3-5H2,1-2H3
InChI Key:
VBZKYGFCGJCPCT-UHFFFAOYSA-N
SMILES:
CC(=O)C12CC(C1)(C2)C(=O)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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