Cas no 204504-82-5 (2-Naphthalenecarboxylicacid, 5-amino-6-methyl-)

2-Naphthalenecarboxylicacid, 5-amino-6-methyl- structure
204504-82-5 structure
Product Name:2-Naphthalenecarboxylicacid, 5-amino-6-methyl-
CAS No:204504-82-5
MF:C12H11NO2
MW:201.221243143082
CID:241364
PubChem ID:10899666
Update Time:2025-04-19

2-Naphthalenecarboxylicacid, 5-amino-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarboxylicacid, 5-amino-6-methyl-
    • 5-Amino-6-methyl-2-naphthalenecarboxylicacid
    • 5-amino-6-methylnaphthalene-2-carboxylic acid
    • 204504-82-5
    • 5-amino-6-methyl-2-naphthoic acid
    • SCHEMBL8529516
    • DTXSID70447660
    • Inchi: 1S/C12H11NO2/c1-7-2-3-8-6-9(12(14)15)4-5-10(8)11(7)13/h2-6H,13H2,1H3,(H,14,15)
    • InChI Key: UXIZMLVXBMXWTN-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC2=C(C(C)=CC=C2C=1)N)=O

Computed Properties

  • Exact Mass: 201.07903
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32
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