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CAS Number: 68634-02-6
methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate

Structure

methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate
Name: methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate
Synonyms:
General Information
Product Number: 68634026
CAS Registry Number: 68634-02-6
Name:
        1H-​Indene-​5-​carboxylic acid, 2,​3-​dihydro-​1-​oxo-​, methyl ester
        1-​Oxo-​indan-​5-​carboxylic acid methyl ester; Methyl 1-​indanone-​5-​carboxylate; Methyl 1-​oxo-​2,​3-​dihydro-​1H-​indene-​5-​carboxylate; Methyl 1-​oxoindan-​5-​carboxylate; Methyl 1-​oxoindane-​5-​carboxylate 
 
Chemical Formula: C11H10O3
Exact Mass: 190.06
Molecular Weight: 190.20
m/z: 190.06 (100.0%), 191.07 (12.1%), 192.07 (1.3%)
Elemental Analysis: C, 69.46; H, 5.30; O, 25.24
 
InChI: InChI=1S/C11H10O3/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6H,3,5H2,1H3
InChIKey: YYKBHCRUMAMBPY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)C(=O)CC2
 
Thermal Properties Value Condition Note
Melting Point 115-117 °C Solv: methanol (67-56-1) (1)IC
Melting Point 114-115 °C   (2)IC
Melting Point 111 °C   (3)CAS

Specification

98%

References
  1. (1) Aono, Tetsuya; Chemical & Pharmaceutical Bulletin 1978, V26(8), P2475-82 CAPLUS
  2. (2) Garland, Robert B.; Journal of Organic Chemistry 1990, V55(23), P5854-61 CAPLUS
  3. (3) Matveeva, E. D.; Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) 2002, V38(12), P1764-1768 CAPLUS
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