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CAS Number

155887-96-0

Chemical Information

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CAS Number	155887-96-0
PubChem CID	15321180
IUPAC Name	2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular Formula	C20H34O9S
Molecular Weight	450.5
XLogP	0.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	20
Heavy Atom Count	30
Formal Charge	0
Complexity	473

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOC

InChI

InChI=1S/C20H34O9S/c1-19-3-5-20(6-4-19)30(21,22)29-18-17-28-16-15-27-14-13-26-12-11-25-10-9-24-8-7-23-2/h3-6H,7-18H2,1-2H3

InChIKey

IULJXDNZSJIPDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155887-96-0

CID: 15321180

Formula: C20H34O9S

MW: 450.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	450.5
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	20
Exact Mass	450.19235383
Monoisotopic Mass	450.19235383
Topological Polar Surface Area	107 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	473
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