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Home > Other Heterocycles > 464-48-2
464-48-2 | (1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
CAS No: 464-48-2 Catalog No: AG003BJR MDL No:MFCD00064148
Product Description
Catalog Number:
AG003BJR
Chemical Name:
(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
CAS Number:
464-48-2
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD00064148
IUPAC Name:
(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChI Key:
DSSYKIVIOFKYAU-OIBJUYFYSA-N
SMILES:
O=C1C[C@H]2C([C@]1(C)CC2)(C)C
EC Number:
207-354-7
UNII:
213N3S8275
UN Number:
2717
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils. | Journal of agricultural and food chemistry 20060906 |
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