Tafluprost Impurity 61

CAT: 1299-RM-T010661-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T010661-01Size:10 mg

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

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CAS Number

2065-23-8

Synonyms

Methyl 2-phenoxyacetate

Molecular Formula

C9H10O3

Molecular Weight

166.18

Target Alternative Name

Tafluprost

Product Name Synonym

Methyl 2-phenoxyacetate

Chemical Information

Methyl phenoxyacetate

CAS Number	2065-23-8
PubChem CID	16365
IUPAC Name	methyl 2-phenoxyacetate
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	139

SMILES

COC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

BZCKRPHEZOHHBK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2065-23-8

CID: 16365

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
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