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CAS Number: 88550-19-0
2-(methoxymethyl)benzoic acid

Structure

2-(methoxymethyl)benzoic acid
Name: 2-(methoxymethyl)benzoic acid
Synonyms:
General Information
Product Number: 88550190
CAS Registry Number: 88550-19-0
Name:
        Benzoic acid, 2-​(methoxymethyl)​-
        2-​(Methoxymethyl)​benzoic acid 
 
Chemical Formula: C9H10O3
Exact Mass: 166.06
Molecular Weight: 166.17
m/z: 166.06 (100.0%), 167.07 (10.0%), 168.07 (1.1%)
Elemental Analysis: C, 65.05; H, 6.07; O, 28.88
 
InChI: InChI=1S/C9H10O3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: SZBJAHPVWKIPIU-UHFFFAOYSA-N
Canonical SMILES : COCC1=CC=CC=C1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 98 °C   (2)CAS
Melting Point 95-96 °C   (3)CAS
Melting Point 95-96 °C   (1)IC
Melting Point 95-96 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 95-95.5 °C   (5)CAS

Specification

98%

References
  1. (1) McCoy, Layton L.; Journal of Organic Chemistry 1984, V49(5), P939-42 CAPLUS
  2. (2) Horner, L.; Tetrahedron Letters 1965, (2), P101-3 CAPLUS
  3. (3) Mann, Frederick G.; Journal of the Chemical Society 1954, P2819-22 CAPLUS
  4. (4) Jones, Paul R.; Journal of Organic Chemistry 1958, V23, P1386-7 CAPLUS
  5. (5) Letsinger, R. L.; Journal of Organic Chemistry 1958, V23, P1806-7 CAPLUS
  6. (6) Clemo, G. R.; Journal of the Chemical Society 1946, P617-21 CAPLUS
  7. (7) Screttas, Constantinos G.; Journal of Organic Chemistry 1989, V54(5), P1013-17 CAPLUS
  8. (8) Fuson, Reynold C.; Journal of Organic Chemistry 1958, V23, P1161-6 CAPLUS
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