Cas no 64289-70-9 (2-Naphthalenecarboxylic acid, 3-[(carboxymethyl)thio]-)

2-Naphthalenecarboxylic acid, 3-[(carboxymethyl)thio]- structure
64289-70-9 structure
Product Name:2-Naphthalenecarboxylic acid, 3-[(carboxymethyl)thio]-
CAS No:64289-70-9
MF:C13H10O4S
MW:262.281102657318
CID:1675611
Update Time:2024-08-30

2-Naphthalenecarboxylic acid, 3-[(carboxymethyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarboxylic acid, 3-[(carboxymethyl)thio]-
    • Inchi: 1S/C13H10O4S/c14-12(15)7-18-11-6-9-4-2-1-3-8(9)5-10(11)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
    • InChI Key: COODLTPEOVQSDP-UHFFFAOYSA-N
    • SMILES: C1=C2C(C=CC=C2)=CC(SCC(O)=O)=C1C(O)=O

Computed Properties

  • Exact Mass: 262.03

Experimental Properties

  • Density: 1.48±0.1 g/cm3(Predicted)
  • Melting Point: 230 °C(Solv: methanol (67-56-1); water (7732-18-5))
  • Boiling Point: 484.1±35.0 °C(Predicted)
  • PSA: 74.6
  • pka: 2.75±0.30(Predicted)
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