Efloxate

CAT: 0926-AAA11941-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA11941-01Size:100 mg

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CAS Number

119-41-5

MDL Number

MFCD00276170

Smiles

CCOC (=O) COC1=CC2=C (C=C1) C (=O) C=C (O2) C3=CC=CC=C3

Molecular Formula

C19H16O5

Molecular Weight

324.3 g/mol

Controlled

Chemical Information

Efloxate

Efloxate is an organic molecular entity.

CAS Number	119-41-5
PubChem CID	8395
IUPAC Name	ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
Molecular Formula	C19H16O5
Molecular Weight	324.3
XLogP	4.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	492

SMILES

CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey

ZVXBAHLOGZCFTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-41-5

CID: 8395

Formula: C19H16O5

MW: 324.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.3
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	324.09977361
Monoisotopic Mass	324.09977361
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	492
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

Catalog	Name
MBS3600678-01	Efloxate
HY-B0930R-01	Efloxate (Standard)