CAS
959237-46-8 Purity
96%
959237-46-8 Purity
96%
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5-(Tetrahydrofuran-2-yl)thiophene-2-carboxylic acid
CAS
959237-71-9
Catalog Number
ACM959237719
Category
Other Products
Molecular Weight
198.238900 [g/mol]
Molecular Formula
C9H10O3S
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Specification
Synonyms
5-(TETRAHYDROFURAN-2-YL)THIOPHENE-2-CARBOXYLIC ACID, 959237-71-9, Ambcb4013673, MolPort-016-583-104, AKOS006283253, MCULE-4427073773, AK107384
IUPAC Name
5-(oxolan-2-yl)thiophene-2-carboxylic acid
Canonical SMILES
C1CC(OC1)C2=CC=C(S2)C(=O)O
InChI Key
MTRSGCTYMNSNSD-UHFFFAOYSA-N
Boiling Point
378ºC at 760 mmHg
Flash Point
182.4ºC
Density
1.358g/cm³
Exact Mass
198.03500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C9H10O3S.
What is the molecular weight of the compound?
The molecular weight of the compound is 198.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(oxolan-2-yl)thiophene-2-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H10O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h3-4,6H,1-2,5H2,(H,10,11).
What is the InChIKey of the compound?
The InChIKey of the compound is MTRSGCTYMNSNSD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CC(OC1)C2=CC=C(S2)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 959237-71-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.7.
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.
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