Ethyl 2-hydroxy-2,2-diphenylacetate

CAT: 0127-OR1043416-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043416-01Size:1 g

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CAS Number

52182-15-7

Purity

97%; RG

Smiles

CCOC(=O)C(c1ccccc1)(c1ccccc1)O

Chemical Information

Ethyl diphenylglycolate

CAS Number	52182-15-7
PubChem CID	96261
IUPAC Name	ethyl 2-hydroxy-2,2-diphenylacetate
Molecular Formula	C16H16O3
Molecular Weight	256.30
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	270

SMILES

CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3

InChIKey

AIPVNQQMYPWQSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52182-15-7

CID: 96261

Formula: C16H16O3

MW: 256.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.30
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	256.109944368
Monoisotopic Mass	256.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	270
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
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PC1021452-01	Ethyl 2-fluoro-β-hydroxy-α, α-dimethylbenzenepropanoate

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