Ethyl 2-phenoxyacetoacetate

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CAT#:0127-OR97556-01Size:1 g

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CAS Number

7699-83-4

MDL Number

MFCD10568343

Purity

95%

Smiles

CCOC(=O)C(OC1=CC=CC=C1)C(C)=O

Chemical Information

Ethyl 3-oxo-2-phenoxybutanoate

CAS Number	7699-83-4
PubChem CID	13033134
IUPAC Name	ethyl 3-oxo-2-phenoxybutanoate
Molecular Formula	C12H14O4
Molecular Weight	222.24
XLogP	2.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

CCOC(=O)C(C(=O)C)OC1=CC=CC=C1

InChI

InChI=1S/C12H14O4/c1-3-15-12(14)11(9(2)13)16-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

InChIKey

ZXLFQGWHCIRDIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7699-83-4

CID: 13033134

Formula: C12H14O4

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	222.08920892
Monoisotopic Mass	222.08920892
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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