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CAS Number: 60241-74-9
2,3,6-trimethoxybenzoic acid

Structure

2,3,6-trimethoxybenzoic acid
Name: 2,3,6-trimethoxybenzoic acid
Synonyms:
General Information
Product Number: 60241749

CAS Registry Number 60241-74-9
Name:
Benzoic acid, 2,​3,​6-​trimethoxy-
2,3,6-Trimethoxybenzoic acid

 

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%)

 

InChI:InChI=1S/C10H12O5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5H,1-3H3,(H,11,12)

InChI Key:NSKSXYUOXAQHCH-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=C(C=C1)OC)OC)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 152-154 °C   (3)CAS
Melting Point 149-150 °C   (4)CAS
Melting Point 149-150 °C   (5)IC
Melting Point 148-149 °C   (6)CAS
Melting Point 146 °C Solv: water (7732-18-5) (7)CAS
Melting Point 143-145 °C   (2)CAS

Specification

98%

References
  1. (2) Alves, Ana P. L.; Synthetic Communications 2009, V39(20), P3693-3709 CAPLUS
  2. (3) Sengupta, Sujaya; Journal of Organic Chemistry 2005, V70(19), P7694-7700 CAPLUS
  3. (4) Gilman, Henry; Journal of the American Chemical Society 1944, V66, P858-9 CAPLUS
  4. (5) Hoegberg, Thomas; Journal of Medicinal Chemistry 1990, V33(4), P1155-63 CAPLUS
  5. (6) Rabjohn, Norman; Journal of Organic Chemistry 1956, V21, P218-19 CAPLUS
  6. (7) Horii, Zenichi; Yakugaku Zasshi 1952, V72, P1520-2 CAPLUS
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