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3-Buten-1-ol,3,4,4-trifluoro-
CAS
97168-13-3
Catalog Number
ACM97168133
Category
Other Products
Molecular Weight
126.08
Molecular Formula
C4H5F3O
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Specification
Synonyms
1,1,2-TRIFLUOROBUT-1-EN-4-OL;1,1,2-Trifluorobut-1-en-4-ol 97%;1,1,2-Trifluorobut-1-en-4-ol97%
IUPAC Name
3,4,4-trifluorobut-3-en-1-ol
Canonical SMILES
C(CO)C(=C(F)F)F
InChI Key
PCYKQGRAPGQQCB-UHFFFAOYSA-N
Boiling Point
114.5ºC at 760mmHg
Flash Point
49.2ºC
Density
1.24g/cm³
Exact Mass
126.02900
Hazard Statements
F: Flammable;
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3-Buten-1-ol according to the reference?
The molecular formula of 3-Buten-1-ol is C4H5F3O.
What is the molecular weight of 3-Buten-1-ol?
The molecular weight of 3-Buten-1-ol is 126.08 g/mol.
What is the IUPAC name of 3-Buten-1-ol?
The IUPAC name of 3-Buten-1-ol is 3,4,4-trifluorobut-3-en-1-ol.
What is the InChIKey of 3-Buten-1-ol?
The InChIKey of 3-Buten-1-ol is PCYKQGRAPGQQCB-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 3-Buten-1-ol?
There is 1 hydrogen bond donor count in 3-Buten-1-ol.
How many hydrogen bond acceptor counts are there in 3-Buten-1-ol?
There are 4 hydrogen bond acceptor counts in 3-Buten-1-ol.
What is the exact mass of 3-Buten-1-ol?
The exact mass of 3-Buten-1-ol is 126.02924926 g/mol.
How many rotatable bond counts are there in 3-Buten-1-ol?
There are 2 rotatable bond counts in 3-Buten-1-ol.
What is the topological polar surface area of 3-Buten-1-ol?
The topological polar surface area of 3-Buten-1-ol is 20.2 Ų.
Is the compound is canonicalized in 3-Buten-1-ol?
Yes, the compound is canonicalized in 3-Buten-1-ol.
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