1-Oxo Ibuprofen[1-氧代布洛芬]

CAS:65813-55-0

SKU： NCC.65813.55.0 分类： [CP/中国药典], [USP/美国药典]

保证安全结账

描述

CAS Registry Number^®

65813-55-0

CAS Name

2-(4-Isobutyrylphenyl)propionic acid

Molecular Formula

C₁₃H₁₆O₃

Molecular Mass

220.26

Compound Properties

Melting Point (1)

82-84 °C

Source(s)

(1) McNeill, Eric; Chemical Science, (2012), 3(6), 1810-1813, CAplus

Other Names and Identifiers

InChI

InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)

InChIKey

InChIKey=RCINGEKPKJQCMO-UHFFFAOYSA-N

SMILES

C(C(O)=O)(C)C1=CC=C(C(C(C)C)=O)C=C1

Canonical SMILES

O=C(O)C(C1=CC=C(C=C1)C(=O)C(C)C)C

Other Names for this Substance

Benzeneacetic acid, α-methyl-4-(2-methyl-1-oxopropyl)-
α-Methyl-4-(2-methyl-1-oxopropyl)benzeneacetic acid
2-(4-Isobutyrylphenyl)propionic acid
(2Rs)-2-(4-isobutyrylphenyl)propanoic acid
2-(4-Isobutyrylphenyl)propanoic acid
2-[4-(2-Methylpropanoyl)phenyl]propanoic acid