CAS
94071-20-2 Purity
96%
94071-20-2 Purity
96%
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Methyl 2-hexadecyl-3-hydroxyicosanoate
CAS
94071-23-5
Catalog Number
ACM94071235
Category
Other Products
Molecular Weight
566.981660 [g/mol]
Molecular Formula
C37H74O3
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Specification
Synonyms
Methyl 2-hexadecyl-3-hydroxyicosanoate, EINECS 301-824-6, CID3023397, 94071-23-5
IUPAC Name
methyl 2-hexadecyl-3-hydroxyicosanoate
SMILES
CCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC)C(=O)OC)O
InChI Key
AZBYGKBIIOPZCG-UHFFFAOYSA-N
Boiling Point
630.3ºC at 760mmHg
Flash Point
217.2ºC
Density
0.884g/cm³
EC Number
301-824-6
Exact Mass
566.56400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 2-hexadecyl-3-hydroxyicosanoate?
The molecular formula is C37H74O3.
What are some synonyms for Methyl 2-hexadecyl-3-hydroxyicosanoate?
Some synonyms include 94071-23-5, EINECS 301-824-6, and DTXSID70916583.
How was the molecular weight of Methyl 2-hexadecyl-3-hydroxyicosanoate computed?
The molecular weight was computed as 567.0 g/mol by PubChem.
What is the IUPAC name of Methyl 2-hexadecyl-3-hydroxyicosanoate?
The IUPAC name is methyl 2-hexadecyl-3-hydroxyicosanoate.
What is the InChIKey for Methyl 2-hexadecyl-3-hydroxyicosanoate?
The InChIKey is AZBYGKBIIOPZCG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Methyl 2-hexadecyl-3-hydroxyicosanoate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for Methyl 2-hexadecyl-3-hydroxyicosanoate?
The XLogP3-AA value is 16.8.
How many rotatable bond counts does Methyl 2-hexadecyl-3-hydroxyicosanoate have?
It has 34 rotatable bond counts.
What is the topological polar surface area of Methyl 2-hexadecyl-3-hydroxyicosanoate?
The topological polar surface area is 46.5 2.
Is Methyl 2-hexadecyl-3-hydroxyicosanoate considered canonicalized according to PubChem?
Yes, it is considered canonicalized.
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