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Rizatriptan Impurity 17

CAT: 1299-RM-R260117-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R260117-04Size:100 mg
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CAS Number
109-94-4
Synonyms
Ethyl formate
Molecular Formula
C3H6O2
Molecular Weight
74.08
Target Alternative Name
Rizatriptan
Product Name Synonym
Ethyl formate

Chemical Information

Ethyl formate

Ethyl formate is a formate ester resulting from the formal condensation of formic acid with ethanol. It has a role as a fumigant and a plant metabolite. It is an ethyl ester and a formate ester.

CAS Number109-94-4
PubChem CID8025
IUPAC Nameethyl formate
Molecular FormulaC3H6O2
Molecular Weight74.08
XLogP0.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity26
SMILES
CCOC=O
InChI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
InChIKey
WBJINCZRORDGAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl formate
CAS: 109-94-4
CID: 8025
Formula: C3H6O2
MW: 74.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight74.08
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass74.036779430
Monoisotopic Mass74.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity26.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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