CAS
94158-62-0 Purity
96%
94158-62-0 Purity
96%
![Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-(1-ethylpentyl)-4,5-dihydro-1H-imidazolium hydroxide](https://resource.alfa-chemistry.com/structure/94158-77-7.gif)
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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-hydroxytridecyl dihydrogen phosphate
CAS
94158-70-0
Catalog Number
ACM94158700
Category
Other Products
Molecular Weight
674.139848 [g/mol]
Molecular Formula
C13H8F21O5P
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Specification
Synonyms
EINECS 303-142-4, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-hydroxytridecyl dihydrogen phosphate, 94158-70-0
IUPAC Name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl) dihydrogen phosphate
Canonical SMILES
C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key
NQLRFTJXTHUSEC-UHFFFAOYSA-N
Boiling Point
383.5ºC at 760mmHg
Flash Point
185.7ºC
Density
1.767g/cm³
EC Number
303-142-4
Exact Mass
673.97700
H-Bond Acceptor
26
H-Bond Donor
3
How many synonyms does the keyword have in the reference?
The keyword has two synonyms: 94158-70-0 and EINECS 303-142-4.
What is the IUPAC name of the keyword?
The IUPAC name of the keyword is (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl) dihydrogen phosphate.
What is the molecular weight of the keyword?
The molecular weight of the keyword is 674.14 g/mol.
What is the Canonical SMILES representation of the keyword?
The Canonical SMILES representation of the keyword is C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
How many hydrogen bond donor counts does the keyword have?
The keyword has 3 hydrogen bond donor counts.
What is the topological polar surface area of the keyword?
The topological polar surface area of the keyword is 87 Å2.
How many rotatable bond counts does the keyword have?
The keyword has 13 rotatable bond counts.
Is the keyword considered a canonical compound?
Yes, the keyword is considered a canonical compound.
What is the exact mass of the keyword?
The exact mass of the keyword is 673.9774018 g/mol.
How many heavy atoms does the keyword contain?
The keyword contains 40 heavy atoms.
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