CAS
91365-84-3 Purity
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91365-84-3 Purity
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![3-Pyridinecarbonitrile,5-[(4-chloro-2-nitrophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-phenyl-(9ci)](https://resource.alfa-chemistry.com/structure/913713-01-6.gif)
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5-(Phenoxymethyl)-2-furoic acid
CAS
91368-74-0
Catalog Number
ACM91368740
Category
Other Products
Molecular Weight
217.197460 [g/mol]
Molecular Formula
C12H10O4
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Specification
Synonyms
ZINC00043875, CID4008377, 91368-74-0
IUPAC Name
5-(phenoxymethyl)furan-2-carboxylate
InChI Key
KPSLIMYRDNBEGK-UHFFFAOYSA-M
Boiling Point
391.3ºC at 760mmHg
Flash Point
190.5ºC
Density
1.287g/cm³
Exact Mass
218.05800
H-Bond Acceptor
4
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(phenoxymethyl)furan-2-carboxylic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 218.20 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14).
What is the InChIKey of the compound?
The InChIKey of the compound is KPSLIMYRDNBEGK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 91368-74-0.
What is the EC number of the compound?
The EC number of the compound is 866-449-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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CAS
913698-80-3 Purity
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913698-80-3 Purity
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