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Sodium ethylparaben

CAT: 0931-TSH-00059-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-TSH-00059-01Size:25 g
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CAS Number
35285-68-8
Bioactivity
Sodium ethylparaben (Sodium ethyl 4-hydroxybenzoate) is a water-soluble preservative commonly considered safe for use in cosmetics.
Smiles
CCOC(C1=CC=C(O[Na])C=C1)=O
Molecular Formula
C9H9NaO3
Molecular Weight
188.1557
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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