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CAS Number: 22744-12-3
2-(4-(methoxycarbonyl)phenyl)acetic acid

Structure

2-(4-(methoxycarbonyl)phenyl)acetic acid
Name: 2-(4-(methoxycarbonyl)phenyl)acetic acid
Synonyms:
General Information
Product Number: 22744123
CAS Registry Number: 22744-12-3
Name:
        Benzeneacetic acid, 4-​(methoxycarbonyl)​-
        p-​Toluic acid, α-​carboxy-​, 1-​methyl ester (8CI); 2-​[4-​(Methoxycarbonyl)​phenyl]​acetic acid; 4-​(Methoxycarbonyl)​phenylacetic acid; 4-​Carboxymethylbenzoic acid methyl ester 
 
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/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChIKey: TXZVCDJZNRCDKW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)CC(=O)O
 
Thermal Properties Value Condition Note
Melting Point 112-115 °C   (1)CAS
Melting Point 110 °C   (2)IC
Melting Point 107-110 °C Solv: ethyl acetate (141-78-6) (3)CAS
Melting Point 104-106 °C   (4)CAS
Melting Point 96-97 °C   (5)CAS

Specification

98%

References
  1. (1) Ohkoshi, Masashi; Tetrahedron 2010, V66(39), P7732-7737 CAPLUS
  2. (2) Banerjee, Amalendu; Journal of the Indian Chemical Society 1987, V64(1), P34-7 CAPLUS
  3. (3) Gangjee, Aleem; Bioorganic & Medicinal Chemistry 2006, V14(24), P8590-8598 CAPLUS
  4. (4) Grell, Wolfgang; Journal of Medicinal Chemistry 1998, V41(26), P5219-5246 CAPLUS
  5. (5) Gorgacheva, I. N.; Zhurnal Obshchei Khimii 1957, V27, P2276-82 CAPLUS
  6. (6) McGrath, Mary E.; Biochemistry 2006, V45(19), P5964-5973 CAPLUS
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