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Methyl 2,2-difluoro-3-methoxypropionate

CAS
99497-39-9
Catalog Number
ACM99497399
Category
Other Products
Molecular Weight
154.11
Molecular Formula
C5H8F2O3

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Specification

Synonyms
Methyl 2,2-Difluoro-3-methoxypropionate, 99497-39-9, ZINC02559537, AC1MCH6J, CTK7B2464, AKOS006293482, methyl 2,2-difluoro-3-methoxypropanoate
IUPAC Name
methyl 2,2-difluoro-3-methoxypropanoate
Canonical SMILES
COCC(C(=O)OC)(F)F
InChI Key
GKYYMXQCYVIIJJ-UHFFFAOYSA-N
Boiling Point
165.6ºC at 760 mmHg
Flash Point
53ºC
Density
1.168g/cm³
Exact Mass
154.04400
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Methyl 2,2-difluoro-3-methoxypropionate?

The molecular formula of Methyl 2,2-difluoro-3-methoxypropionate is C5H8F2O3.

What is the molecular weight of Methyl 2,2-difluoro-3-methoxypropionate?

The molecular weight of Methyl 2,2-difluoro-3-methoxypropionate is 154.11 g/mol.

What is the IUPAC name of Methyl 2,2-difluoro-3-methoxypropionate?

The IUPAC name of Methyl 2,2-difluoro-3-methoxypropionate is methyl 2,2-difluoro-3-methoxypropanoate.

What is the InChI of Methyl 2,2-difluoro-3-methoxypropionate?

The InChI of Methyl 2,2-difluoro-3-methoxypropionate is InChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3.

What is the InChIKey of Methyl 2,2-difluoro-3-methoxypropionate?

The InChIKey of Methyl 2,2-difluoro-3-methoxypropionate is GKYYMXQCYVIIJJ-UHFFFAOYSA-N.

How many hydrogen bond acceptors does Methyl 2,2-difluoro-3-methoxypropionate have?

Methyl 2,2-difluoro-3-methoxypropionate has 5 hydrogen bond acceptors.

What is the topological polar surface area of Methyl 2,2-difluoro-3-methoxypropionate?

The topological polar surface area of Methyl 2,2-difluoro-3-methoxypropionate is 35.5 Å2.

How many rotatable bonds does Methyl 2,2-difluoro-3-methoxypropionate have?

Methyl 2,2-difluoro-3-methoxypropionate has 4 rotatable bonds.

Is Methyl 2,2-difluoro-3-methoxypropionate a canonicalized compound?

Yes, Methyl 2,2-difluoro-3-methoxypropionate is a canonicalized compound.

What is the formal charge of Methyl 2,2-difluoro-3-methoxypropionate?

The formal charge of Methyl 2,2-difluoro-3-methoxypropionate is 0.

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