Dehydroizoleucomizinic acid structure

Dehydroizoleucomizinic acid

(2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid

Also Known As: Dehydroizoleucomizinic acid|(2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid|(S)-2-((R)-3,8-dimethyl-1-oxo-1,5,6,7-tetrahydroazulen-5-yl)propanoic acid

CAS: 23554-79-2
Molecular Formula C15H18O3
Molecular Weight 246.1256 g/mol
LogP 1.7
Topological Polar Surface Area 54.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 246.1256
Monoisotopic Mass 246.1256
Heavy Atoms 18
Complexity 506.0

Chemical Identifiers

CAS Number 23554-79-2
SMILES CC1=C2C(=C[C@@H](CC1)[C@H](C)C(=O)O)C(=CC2=O)C
InChIKey YRMFMPDLOYHGGH-WDEREUQCSA-N

Product Overview

Dehydroizoleucomizinic acid (CAS 23554-79-2), with molecular formula C15H18O3 and molecular weight 246.1256 g/mol. IUPAC: (2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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