2- (2-Hydroxyethoxy) ethyl butyrate

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CAS Number

64080-48-4

MDL Number

MFCD27977529

Purity

=95%

Smiles

CCCC(=O)OCCOCCO

Chemical Information

2-(2-Hydroxyethoxy)ethyl butanoate

CAS Number	64080-48-4
PubChem CID	21996747
IUPAC Name	2-(2-hydroxyethoxy)ethyl butanoate
Molecular Formula	C8H16O4
Molecular Weight	176.21
XLogP	0.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	114

SMILES

CCCC(=O)OCCOCCO

InChI

InChI=1S/C8H16O4/c1-2-3-8(10)12-7-6-11-5-4-9/h9H,2-7H2,1H3

InChIKey

JUMZOXDRQCCFOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64080-48-4

CID: 21996747

Formula: C8H16O4

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	176.10485899
Monoisotopic Mass	176.10485899
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	114
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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