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Salicylic Acid Impurity 28

CAT: 1596-AR-S09891-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09891-01Size:10 Units
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CAS Number
607-85-2
Molecular Formula
C10H12O3
Molecular Weight
180.20
API Name
Salicylic acid

Chemical Information

Isopropyl salicylate

Isopropyl salicylate is a benzoate ester that is the isopropyl ester of salicylic acid. It is a member of salicylates, a member of phenols, an isopropyl ester and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number607-85-2
PubChem CID11838
IUPAC Namepropan-2-yl 2-hydroxybenzoate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
CC(C)OC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
InChIKey
YEULQIJMIOWCHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl salicylate
CAS: 607-85-2
CID: 11838
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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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