Ethyl 3-Phenylglycidate

CAT: 0127-OR1013189-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1013189-01Size:25 g

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CAS Number

121-39-1

MDL Number

MFCD00005123

Purity

90%

Smiles

CCOC(=O)C1OC1c2ccccc2

Chemical Information

Ethyl 3-phenylglycidate

Ethyl phenylglycidate is an epoxide and a carboxylic acid.

CAS Number	121-39-1
PubChem CID	8469
IUPAC Name	ethyl 3-phenyloxirane-2-carboxylate
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	1.7
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

CCOC(=O)C1C(O1)C2=CC=CC=C2

InChI

InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey

GOMAKLPNAAZVCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-39-1

CID: 8469

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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