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CAS Number: 78515-16-9
methyl 5-formyl-2-methoxybenzoate

Structure

methyl 5-formyl-2-methoxybenzoate
Name: methyl 5-formyl-2-methoxybenzoate
Synonyms:
General Information
Product Number: 78515169

CAS Registry Number: 78515-16-9

Name:

Benzoic acid, 5-​formyl-​2-​methoxy-​, methyl ester
4-​Methoxy-​3-​methoxycarbonylbenza​ldehyde; Methyl 2-​methoxy-​5-​formylbenzoate; Methyl 5-​formyl-​2-​methoxybenzoate 

 

Chemical Formula: C10H10O4
Exact Mass: 194.06
Molecular Weight: 194.18
m/z: 194.06 (100.0%), 195.06 (11.1%), 196.06 (1.3%)
Elemental Analysis: C, 61.85; H, 5.19; O, 32.96

 

InChI: InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
InChIKey: CNRMXICSYWVJRD-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)C=O)C(=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 163-165 °C Press: 1 Torr (1)IC
Melting Point 86-87 °C   (4)CAS
Melting Point 85-86 °C Solv: isopropyl ether (108-20-3) (3)IC
Melting Point 69-70 °C   (1)IC

Specification

98%

References
  1. (1) Grigoryan, L. A.; Armyanskii Khimicheskii Zhurnal 1983, V36(11), P722-6 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Hiraiwa, Toru; DE 3906920 A1 1989 CAPLUS
  4. (4) Wayne, E. J.; Journal of the Chemical Society, Transactions 1922, V121, P1022-9 CAPLUS
  5. (5) Sato, Kumi; European Journal of Medicinal Chemistry 2004, V39(7), P573-578 CAPLUS
  6. (6) Saido, Takaomi; WO 2005042461 A1 2005 CAPLUS
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