Structure

Ethanol-d(9ci)

CAS
925-93-9
Catalog Number
ACM925939
Category
Other Products
Molecular Weight
46.0684
Molecular Formula
C2H5DO

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Specification

Synonyms
Ethanol-d, Ethanol-d1, Ethanol-OD, Ethyl alcohol-d1, Ethan(ol-d), Ethyl (2)alcohol, Ethyl alcohol and water, 5%, 151904_ALDRICH, 452556_ALDRICH, EINECS 213-128-9, CID123093, 1624-36-8, 925-93-9
IUPAC Name
deuteriooxyethane
Canonical SMILES
CCO
InChI Key
LFQSCWFLJHTTHZ-WFVSFCRTSA-N
Boiling Point
72.6ºC at 760 mmHg
Melting Point
-130ºC(lit.)
Flash Point
8.9ºC
Density
0.78 g/cm³
Appearance
colourless liquid
EC Number
213-128-9
Exact Mass
47.04810
Hazard Statements
F: Flammable;
H-Bond Acceptor
1
H-Bond Donor
1
Packing Group
II
Safety Description
S16-S7
Stability
Stable. Highly flammable. Incompatible with oxidizing agents, acids, acid chlorides, alkali metals, ammonia, moisture, peroxides.
What is the molecular formula of Ethanol-d according to the reference?

The molecular formula of Ethanol-d is C2H6O.

When was the PubChem CID for Ethanol-d created and last modified?

The PubChem CID for Ethanol-d was created on 2005-03-27 and last modified on 2023-12-30.

What is the IUPAC name of Ethanol-d according to the reference?

The IUPAC name of Ethanol-d is deuteriooxyethane.

What is the InChIKey of Ethanol-d?

The InChIKey of Ethanol-d is LFQSCWFLJHTTHZ-WFVSFCRTSA-N.

How many hydrogen bond donor counts does Ethanol-d have?

Ethanol-d has 1 hydrogen bond donor count.

What is the exact mass of Ethanol-d?

The exact mass of Ethanol-d is 47.048141557 g/mol.

How many heavy atoms does Ethanol-d contain?

Ethanol-d contains 3 heavy atoms.

Is Ethanol-d a canonicalized compound?

Yes, Ethanol-d is a canonicalized compound.

What is the Isotope Atom Count of Ethanol-d?

The Isotope Atom Count of Ethanol-d is 1.

What is the topological polar surface area of Ethanol-d?

The topological polar surface area of Ethanol-d is 20.2 Ų.

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