Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-
Basic information
- CAS
99414-57-0- Standard SMILES
CC(CC(=O)O)CC(=O)c1ccc(OC(C)C)c(Cl)c1- InChIKey
VZQNMVPIIHLEAB-UHFFFAOYSA-N- Molecular formula
- C15H19ClO4
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.0971868
Names & identifiers
- Preferred name
- Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-
- IUPAC
- 5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-5-oxopentanoic acid
Names & synonyms
99414-57-0Benzenepentanoic acid, 3-chloro-beta-methyl-4-(1-methylethoxy)-delta-oxo-DTXSID609127165-{3-Chloro-4-[(propan-2-yl)oxy]phenyl}-3-methyl-5-oxopentanoic acid
Database identifiers
- CAS
99414-57-0- PubChem CID
- 188530
- DTXSID
DTXSID60912716
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
LogP3.4
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Compound notes
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