Cas no 14202-13-2 (Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-methyl-)

Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-methyl- structure
14202-13-2 structure
Product Name:Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-methyl-
CAS No:14202-13-2
MF:C13H20O2
MW:208.296704292297
CID:218751
PubChem ID:85698
Update Time:2025-04-19

Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Tricyclo[3.3.1.13,7]decane-1-aceticacid, 3-methyl-
    • (3-methyltricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
    • 3-Methyltricyclo(3.3.1.13,7)decan-1-ylacetic acid
    • (3-methyladamantan-1-yl)acetic acid
    • Oprea1_266934
    • CCG-7258
    • SR-01000400504-1
    • AB00082794-01
    • DTXSID40931304
    • 2-(3-methyl-1-adamantyl)acetic acid
    • SR-01000400504
    • CBMicro_019139
    • (3-Methyl-1-adamantyl)acetic acid #
    • NS00051998
    • Cambridge id 5357729
    • 2-(3-METHYLADAMANTAN-1-YL)ACETIC ACID
    • 3-methyladamantan-1-ylacetic acid
    • BIM-0018944.P001
    • AKOS001484841
    • Tricyclo[3.3.1.1(3,7)-]decane-1-acetic acid, 3-methyl-
    • SCHEMBL503339
    • 14202-13-2
    • HMS1608I12
    • 3-Methyl-1-adamantaneacetic acid
    • EINECS 238-054-4
    • AKOS021984359
    • Inchi： 1S/C13H20O2/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)7-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
    • InChI Key： OIASGIUDXARLDU-UHFFFAOYSA-N
    • SMILES： OC(CC12CC3CC(CC(C)(C3)C1)C2)=O

Computed Properties

  • Exact Mass: 208.1464
  • Monoisotopic Mass: 208.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.149
  • Boiling Point: 328.9°C at 760 mmHg
  • Flash Point: 164.7°C
  • Refractive Index: 1.549
  • PSA: 37.3

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