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Nonoxynol-9

CAT: 0931-T28188-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28188-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26571-11-9
Target
Others
Related Pathways
Others
Bioactivity
Nonoxynol-9 is an inhibitor of human epidermal growth factor receptor-2 (HER2) . It is also used as a surfactant and functions as a spermatocide.
Smiles
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Molecular Formula
C33H60O10
Molecular Weight
616.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nonaethylene Glycol Nonylphenyl Ether

Tergitol NP-9 is a tergitol polymer consisting of nonylbenzene with a nine-membered poly(ethylene glycol) moiety attached at position 4. It has a role as a nonionic surfactant and a contraceptive drug.

CAS Number26571-11-9
PubChem CID72385
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC33H60O10
Molecular Weight616.8
XLogP4.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count35
Heavy Atom Count43
Formal Charge0
Complexity520
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKey
FBWNMEQMRUMQSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nonaethylene Glycol Nonylphenyl Ether
CAS: 26571-11-9
CID: 72385
Formula: C33H60O10
MW: 616.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count35
Exact Mass616.41864811
Monoisotopic Mass616.41864811
Topological Polar Surface Area103 Ų
Heavy Atom Count43
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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