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CAS Number: 1951-38-8
2-methoxyisophthalic acid

Structure

2-methoxyisophthalic acid
Name: 2-methoxyisophthalic acid
Synonyms:
General Information
Product Number: 1951388

CAS Registry Number 1951-38-8
Name:
1,​3-​Benzenedicarboxylic acid, 2-​methoxy-
Isophthalic acid, 2-methoxy- (6CI,7CI,8CI)
2-Methoxy-1,3-benzenedicarboxylic acid
2-Methoxyisophthalic acid

 

Chemical Formula: C9H8O5
Exact Mass: 196.04
Molecular Weight: 196.16
m/z: 196.04 (100.0%), 197.04 (10.0%), 198.04 (1.5%)

 

InChI:InChI=1S/C9H8O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChI Key:ZRWAPLTWCQQSAN-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC=C1C(=O)O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 220-221 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 219-221 °C   (3)CAS
Melting Point 216-218 °C   (4)CAS
Melting Point 216-218 °C   (5)CAS
Melting Point 216-217 °C   (6)CAS
Melting Point 184 °C   (2)CAS

Specification

98%

References
  1. (1) Zhu, Jiang; Journal of Organic Chemistry 2004, V69(19), P6221-6227 CAPLUS
  2. (2) Kuebel-Pollak, Anita; Helvetica Chimica Acta 2006, V89(5), P841-853 CAPLUS
  3. (3) Schmid, K.; Helvetica Chimica Acta 1954, V37, P1080-93 CAPLUS
  4. (4) Burton, D. E.; Journal of the Chemical Society 1965, (Jan.), P438-43 CAPLUS
  5. (5) Letsinger, Robert L.; Journal of Organic Chemistry 1951, V16, P869-73 CAPLUS
  6. (6) Morton, Avery A.; Journal of the American Chemical Society 1954, V76, P2973-80 CAPLUS
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