CAS
92956-06-4 Purity
96%
92956-06-4 Purity
96%
![3-Isoquinolinecarboxamide,N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[[4-(trifluoromethyl)phenyl]methyl]amino]carbonyl]butyl]-](https://resource.alfa-chemistry.com/structure/929611-17-6.gif)
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5-[(Phenylsulfonyl)methyl]-2-furoic acid
CAS
92959-89-2
Catalog Number
ACM92959892
Category
Other Products
Molecular Weight
265.261860 [g/mol]
Molecular Formula
C12H10O5S
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Specification
Synonyms
ZINC03913574, 92959-89-2
IUPAC Name
5-(benzenesulfonylmethyl)furan-2-carboxylate
InChI Key
JAYCQRGXFORAAZ-UHFFFAOYSA-M
Boiling Point
534.8ºC at 760mmHg
Flash Point
277.2ºC
Density
1.422g/cm³
Exact Mass
266.02500
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H10O5S.
What is the molecular weight of the compound?
The molecular weight of the compound is 266.27 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(benzenesulfonylmethyl)furan-2-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H10O5S/c13-12(14)11-7-6-9(17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2,(H,13,14).
What is the InChIKey of the compound?
The InChIKey of the compound is JAYCQRGXFORAAZ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 92959-89-2.
What is the EC number of the compound?
The EC number of the compound is 819-404-0.
What is the ChEMBL ID of the compound?
The ChEMBL ID of the compound is CHEMBL493435.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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