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CAS Number: 55703-81-6
4-isopropyl-3,5-dimethoxybenzoic acid

Structure

4-isopropyl-3,5-dimethoxybenzoic acid
Name: 4-isopropyl-3,5-dimethoxybenzoic acid
Synonyms:
General Information
Product Number: 55703816

CAS Registry Number 55703-81-6
Name:
Benzoic acid, 3,​5-​dimethoxy-​4-​(1-​methylethyl)​-
4-Isopropyl-3,5-dimethoxybenzoic acid

 

Chemical Formula: C12H16O4
Exact Mass: 224.10
Molecular Weight: 224.25
m/z: 224.10 (100.0%), 225.11 (13.3%), 226.11 (1.6%)

 

InChI:InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChI Key:FBOZXECLQNJBKD-ZDUSSCGKSA-N

Canonical SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 182-184 °C   (1)CAS

Specification

98%

References
  1. (1) Fillion, Eric; Journal of the American Chemical Society 2005, V127(38), P13144-13145 CAPLUS
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