CAS
934-00-9 Purity
96%
934-00-9 Purity
96%
![[3-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogensulfate](https://resource.alfa-chemistry.com/structure/93405-68-6.gif)
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2-Butenoic acid,4,4,4-trifluoro-3-methyl-,(2Z)-
CAS
93404-33-2
Catalog Number
ACM93404332
Category
Other Products
Molecular Weight
154.0872096
Molecular Formula
C5H5F3O2
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Specification
Synonyms
ZINC05226673, CID7568371, 93404-33-2
IUPAC Name
(E)-4,4,4-trifluoro-3-methylbut-2-enoate
Canonical SMILES
CC(=CC(=O)O)C(F)(F)F
InChI Key
QRRCTLYMABZQCS-NSCUHMNNSA-M
Melting Point
28-30 ℃(lit.)
Exact Mass
154.02400
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
26-27-36/37/39-45
What is the molecular formula of 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-,(2Z)-?
The molecular formula is C5H5F3O2.
What is the IUPAC name of the compound?
The IUPAC name is (Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid.
What is the molecular weight of the compound?
The molecular weight is 154.09 g/mol.
What is the CAS number of the compound?
The CAS number is 93404-33-2.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 5 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 1 rotatable bond count.
What is the exact mass of the compound?
The exact mass is 154.02416388 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 37.32.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
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