CAS
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3-(3-Hydroxy-prop-1-ynyl)-benzoic acid
Catalog Number
ACMA00000487
Category
Alcohols
Molecular Weight
176.17
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Specification
Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound with the PubChem CID 5051581?
The molecular formula is C10H8O3.
What are some synonyms for the compound with the PubChem CID 5051581?
Some synonyms include 3-(3-hydroxyprop-1-ynyl)benzoic Acid and Benzoic acid,3-(3-hydroxy-1-propyn-1-yl).
What is the molecular weight of the compound?
The molecular weight is 176.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(3-hydroxyprop-1-ynyl)benzoic acid.
What is the InChI key of the compound?
The InChI key is YNURZLOEFNTCMJ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=CC(=C1)C(=O)O)C#CCO.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
What is the XLogP3 value of the compound?
The XLogP3 value is 1.5.
What is the topological polar surface area of the compound?
The topological polar surface area is 57.5Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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