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CAS Number: 111139-55-0
2,4,5-trimethoxybenzoic acid

Structure

2,4,5-trimethoxybenzoic acid
Name: 2,4,5-trimethoxybenzoic acid
Synonyms:
General Information
Product Number: 111139550
CAS Registry Number: 111139-55-0
Name:
        Benzo[b]​thiophene-​3-​propanoic acid, α-​amino-​, (αR)​-
        Benzo[b]​thiophene-​3-​propanoic acid, α-​amino-​, (R)​-; (+)​-​2-​Amino(benzo[b]​thiophen-​3-​yl)​propionic acid; (R)​-​2-​Amino-​3-​(benzo[b]​thiophen-​3-​yl)​propionic acid; 3-​(Benzo[b]​thiophen-​3-​yl)​-​D-​alanine; D-​Thiotryptophan 
 
Chemical Formula: C10H12O5
Exact Mass: 212.07
Molecular Weight: 212.20
m/z: 212.07 (100.0%), 213.07 (11.1%), 214.07 (1.0%)
Elemental Analysis: C, 56.60; H, 5.70; O, 37.70
 
InChI: InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m1/s1
InChIKey: GAUUPDQWKHTCAX-SECBINFHSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)N
Isomeric SMILES: C1=CC=C2C(=C1)C(=CS2)C[C@H](C(=O)O)N

Specification

98%

References
  1. (1) Rao, Pemmaraju Narasimha; International Journal of Peptide & Protein Research 1987, V29(1), P118-25 CAPLUS
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