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Home > Other Heterocycles > 6541-58-8
6541-58-8 | 1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one
CAS No: 6541-58-8 Catalog No: AG006R5M MDL No:MFCD22493392
Product Description
Catalog Number:
AG006R5M
Chemical Name:
1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one
CAS Number:
6541-58-8
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD22493392
IUPAC Name:
1,5,5-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H16O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7H,4-6H2,1-3H3
InChI Key:
BGKHEYBJLXKPGX-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1(C)CC2(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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