CAS
941867-91-0 Purity
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941867-91-0 Purity
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2H-Pyran-2-carboxylicacid,tetrahydro-2-hydroxy-,methylester(9ci)
CAS
94189-63-6
Catalog Number
ACM94189636
Category
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- Product Description
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- Synthetic Use
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What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 2-hydroxyoxane-2-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H12O4/c1-10-6(8)7(9)4-2-3-5-11-7/h9H,2-5H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is BWFJMLRUNFCOJO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1(CCCCO1)O.
What is the molecular weight of the compound?
The molecular weight of the compound is 160.17 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55.82.
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