Etomidate Impurity 16

CAT: 1299-RM-E201316-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201316-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

23785-21-9

Synonyms

Ethyl 1H-imidazole-5-carboxylate

Molecular Formula

C6H8N2O2

Molecular Weight

140.14

Target Alternative Name

Etomidate

Product Name Synonym

Ethyl 1H-imidazole-5-carboxylate

Chemical Information

Ethyl 4(5)-imidazolecarboxylate

structure given in first source

CAS Number	23785-21-9
PubChem CID	99170
IUPAC Name	ethyl 1H-imidazole-5-carboxylate
Molecular Formula	C6H8N2O2
Molecular Weight	140.14
XLogP	0.6
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	127

SMILES

CCOC(=O)C1=CN=CN1

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)

InChIKey

KLWYPRNPRNPORS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23785-21-9

CID: 99170

Formula: C6H8N2O2

MW: 140.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.14
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	140.058577502
Monoisotopic Mass	140.058577502
Topological Polar Surface Area	55 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes