Tert-Butyl 2-phenoxyacetate

CAT: 0127-OR1053426-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1053426-01Size:1 g

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CAS Number

36304-22-0

MDL Number

MFCD17171048

Purity

95%

Smiles

O=C(OC(C)(C)C)COC1=CC=CC=C1

Chemical Information

Tert-butyl 2-phenoxyacetate

CAS Number	36304-22-0
PubChem CID	11095828
IUPAC Name	tert-butyl 2-phenoxyacetate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	199

SMILES

CC(C)(C)OC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChIKey

SQODLBZBNXPSKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36304-22-0

CID: 11095828

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	199
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
OR8842-01	Methyl phenoxyacetate
OR1053462-01	Sodium 2-phenoxyacetate hydrate
OR925281-01	Ethyl phenoxyacetate
OR1015052-01	Sodium Phenoxyacetate
IN13154	Magnesium Phenoxyacetate Dihydrate
OR1055262-01	2- (tert-Butyl) furan
OR1070484-01	Tert-Butyl 2-oxopropanoate
OR1084116-01	Tert-butyl 2-ethylbenzoate
OR1051865-01	2- (tert-Butyl) cyclohexanamine
OR1004789-01	Tert-butyl 2-cyclohexylidenehydrazinecarboxylate

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