CAS
94023-46-8 Purity
96%
94023-46-8 Purity
96%
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Isobutyl 3-thienylacetate
CAS
94023-53-7
Catalog Number
ACM94023537
Category
Other Products
Molecular Weight
198.281960 [g/mol]
Molecular Formula
C10H14O2S
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Specification
Synonyms
Isobutyl 3-thienylacetate, EINECS 301-651-6, CID3023341, 94023-53-7
IUPAC Name
2-methylpropyl 2-thiophen-3-ylacetate
Canonical SMILES
CC(C)COC(=O)CC1=CSC=C1
InChI Key
DEPSFIADZHYHQA-UHFFFAOYSA-N
Boiling Point
259.7ºC at 760mmHg
Flash Point
110.9ºC
Density
1.091g/cm³
EC Number
301-651-6
Exact Mass
198.07100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Isobutyl 3-thienylacetate?
The molecular formula of Isobutyl 3-thienylacetate is C10H14O2S.
When was Isobutyl 3-thienylacetate created in PubChem?
Isobutyl 3-thienylacetate was created in PubChem on 2005-08-08.
What is the IUPAC name of Isobutyl 3-thienylacetate?
The IUPAC name of Isobutyl 3-thienylacetate is 2-methylpropyl 2-thiophen-3-ylacetate.
What is the molecular weight of Isobutyl 3-thienylacetate?
The molecular weight of Isobutyl 3-thienylacetate is 198.28 g/mol.
What is the Canonical SMILES of Isobutyl 3-thienylacetate?
The Canonical SMILES of Isobutyl 3-thienylacetate is CC(C)COC(=O)CC1=CSC=C1.
Which identifier is used for Isobutyl 3-thienylacetate in CAS?
The CAS identifier for Isobutyl 3-thienylacetate is 94023-53-7.
What is the European Community (EC) Number for Isobutyl 3-thienylacetate?
The European Community (EC) Number for Isobutyl 3-thienylacetate is 301-651-6.
What is the XLogP3 value of Isobutyl 3-thienylacetate?
The XLogP3 value of Isobutyl 3-thienylacetate is 2.8.
How many hydrogen bond acceptor counts does Isobutyl 3-thienylacetate have?
Isobutyl 3-thienylacetate has 3 hydrogen bond acceptor counts.
Is Isobutyl 3-thienylacetate a canonicalized compound?
Yes, Isobutyl 3-thienylacetate is a canonicalized compound in PubChem.
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