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(S) -Ibuprofen Isopropyl Ester

CAT: 1596-AR-I03039-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03039-01Size:50 Units
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CAS Number
1114975-39-1
Synonyms
Isopropyl (S) -2- (4-isobutylphenyl) propanoate
Molecular Formula
C16H24O2
Molecular Weight
248.4
API Name
Ibuprofen

Chemical Information

Dexibuprofen Isopropyl Ester
CAS Number1114975-39-1
PubChem CID93476590
IUPAC Namepropan-2-yl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
Molecular FormulaC16H24O2
Molecular Weight248.36
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity250
SMILES
C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3/t13-/m0/s1
InChIKey
RVZWLHIFEPTVBC-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Dexibuprofen Isopropyl Ester
CAS: 1114975-39-1
CID: 93476590
Formula: C16H24O2
MW: 248.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.36
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass248.177630004
Monoisotopic Mass248.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-I140090-1GIbuprofen Isopropyl Ester
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HY-108308-01Ibuprofen guaiacol ester
MBS5814339Ibuprofen ethyl ester
FI157493-01Ibuprofen sorbitan ester
RM-I210424-01Ibuprofen Pseudoephedrine Ester
MBS5777282Ibuprofen diethylaminoethyl ester
TRC-I140085-1G(±)-Ibuprofen Methyl Ester

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