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Ethylparaben 250mg

CAT: 0628-A16012-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0628-A16012-250Size:250 mg
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CAS Number
120-47-8

Chemical Information

Ethylparaben

Ethylparaben is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol. It has a role as an antifungal agent, an antimicrobial food preservative, a plant metabolite and a phytoestrogen. It is an ethyl ester and a paraben.

CAS Number120-47-8
PubChem CID8434
IUPAC Nameethyl 4-hydroxybenzoate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP2.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
CCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKey
NUVBSKCKDOMJSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethylparaben
CAS: 120-47-8
CID: 8434
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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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592154Ethylparaben
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