Ethyl 2,6-diethoxybenzoate

CAT: 0024-sc-252793Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252793Size:1 g

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CAS Number

92157-15-8

Chemical Information

Ethyl 2,6-diethoxybenzoate

CAS Number	92157-15-8
PubChem CID	5069409
IUPAC Name	ethyl 2,6-diethoxybenzoate
Molecular Formula	C13H18O4
Molecular Weight	238.28
XLogP	2.8
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	215

SMILES

CCOC1=C(C(=CC=C1)OCC)C(=O)OCC

InChI

InChI=1S/C13H18O4/c1-4-15-10-8-7-9-11(16-5-2)12(10)13(14)17-6-3/h7-9H,4-6H2,1-3H3

InChIKey

QMVQTFWOHMQDQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92157-15-8

CID: 5069409

Formula: C13H18O4

MW: 238.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.28
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	238.12050905
Monoisotopic Mass	238.12050905
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	215
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

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