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Ethylparaben Sodium Salt

CAT: 1596-AR-P01186-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01186-01Size:25 Units
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CAS Number
35285-68-8
Synonyms
Sodium 4- (ethoxycarbonyl) phenolate; 4-Hydroxybenzoic Acid Ethyl Ester Sodium Salt; Ethyl 4-Hydroxybenzoate Sodium Salt; Ethyl p-Hydroxybenzoate Sodium Salt; Ethyl Paraben Sodium Salt; Sodium Ethyl p-Hydroxybenzoate; Sodium Ethyl Parahydroxybenzoate; Sodium Ethylparaben; Sodium p- (Carbethoxy) phenoxide
Molecular Formula
C9H9O3. Na
Molecular Weight
165.17 22.99
API Name
Paraben

Chemical Information

SODIUM ETHYL p-HYDROXYBENZOATE
CAS Number35285-68-8
PubChem CID52913806
Molecular FormulaC9H10NaO3
Molecular Weight189.16
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity148
SMILES
CCOC(=O)C1=CC=C(C=C1)O.[Na]
InChI
InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;
InChIKey
HLEKLAHSVAPCPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SODIUM ETHYL p-HYDROXYBENZOATE
CAS: 35285-68-8
CID: 52913806
Formula: C9H10NaO3
MW: 189.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.16
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass189.05276346
Monoisotopic Mass189.05276346
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
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 Count2
Compound Is CanonicalizedYes

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