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89-82-7 | (+)-PULEGONE
CAS No: 89-82-7 Catalog No: AG003BDB MDL No:MFCD00063000
Product Description
Catalog Number:
AG003BDB
Chemical Name:
(+)-PULEGONE
CAS Number:
89-82-7
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD00063000
IUPAC Name:
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
InChI Key:
NZGWDASTMWDZIW-MRVPVSSYSA-N
SMILES:
C[C@@H]1CCC(=C(C)C)C(=O)C1
EC Number:
201-943-2
UNII:
4LF2673R3G
FEMA Number:
2963
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2.8
Literature
| Title | Journal |
|---|---|
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| Constituents and biological activity of the essential oil and the aqueous extract of Micromeria fruticosa (L.) Druce subsp. serpyllifolia. | Pakistan journal of pharmaceutical sciences 20120701 |
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