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Structure

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
Canonical 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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