CAS
952308-47-3 Purity
96%
952308-47-3 Purity
96%
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2-(Thiophene-2-carbonyloxy)benzoic acid
CAS
95232-68-1
Catalog Number
ACM95232681
Category
Other Products
Molecular Weight
248.255 g/mol
Molecular Formula
C12H8O4S
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Specification
Synonyms
Tenosalum, Tenosal, Tenosalum [INN-Latin], UNII-EEK88K197T, CID65838, YS 134, 2-Thiophenecarboxylic acid, 2-carboxyphenyl ester, 2-Thiophenecarboxylic acid, ester with salicylic acid, 95232-68-1
IUPAC Name
2-(thiophene-2-carbonyloxy)benzoic acid
InChI Key
JCUTZUSPPNNLDC-UHFFFAOYSA-N
Boiling Point
491.6ºC at 760mmHg
Flash Point
251.1ºC
Density
1.419g/cm³
Exact Mass
248.01400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The molecular formula is C12H8O4S.
What is the molecular weight of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The molecular weight is 248.26 g/mol.
What is the IUPAC name of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The IUPAC name is 2-(thiophene-2-carbonyloxy)benzoic acid.
What is the InChI of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The InChI is InChI=1S/C12H8O4S/c13-11(14)8-4-1-2-5-9(8)16-12(15)10-6-3-7-17-10/h1-7H,(H,13,14).
What is the InChIKey of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The InChIKey is JCUTZUSPPNNLDC-UHFFFAOYSA-N.
What is the canonical SMILES of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The canonical SMILES is C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CC=CS2.
What is the CAS number of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The CAS number is 95232-68-1.
How many hydrogen bond donor counts does 2-(Thiophene-2-carbonyloxy)benzoic acid have?
It has a hydrogen bond donor count of 1.
What is the topological polar surface area of 2-(Thiophene-2-carbonyloxy)benzoic acid?
The topological polar surface area is 91.8 Ų.
Is 2-(Thiophene-2-carbonyloxy)benzoic acid considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
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