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Ibuprofen sodium
Catalog Number
ACM31121934-1
CAS
31121-93-4
IUPAC Name
Sodium;2-[4-(2-methylpropyl)phenyl]propanoate
Synonyms
α-Methyl-4-(isobutyl)phenylacetic acid
Molecular Weight
228.26
Molecular Formula
C13H17NaO2
Product Information
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+]
InChI
InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChI Key
PTTPUWGBPLLBKW-UHFFFAOYSA-M
Melting Point
110-112 °C
Purity
99%+
Appearance
White to off-white neat
Storage
Hygroscopic, -20 °C freezer, under inert atmosphere
Complexity
208
Covalently-Bonded Unit Count
2
Exact Mass
228.11262406
Heavy Atom Count
16
Monoisotopic Mass
228.11262406
Topological Polar Surface Area
40.1 Ų
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