CAS
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3-Cyclohexylbutanoic acid
Catalog Number
ACMA00000547
Category
Alkanes
Molecular Weight
170.25
Molecular Formula
C10H12FeP2
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Specification
Hazard Statements
H226
RIDADR
NONH for all modes of transport
Symbol
GHS02
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-cyclohexylbutanoic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H18O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 170.25 g/mol.
What is the InChIkey of the compound?
The InChIkey of the compound is CDPQZLVBRUMMRQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(CC(=O)O)C1CCCCC1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.3.
How many hydrogen bond donor atoms does the compound have?
The compound has 1 hydrogen bond donor atom.
How many hydrogen bond acceptor atoms does the compound have?
The compound has 2 hydrogen bond acceptor atoms.
How many rotatable bonds are present in the compound?
The compound has 3 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 37.3 Ų.
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