Cas no 85179-91-5 (1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-)

1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL- structure
85179-91-5 structure
Product Name:1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-
CAS No:85179-91-5
MF:C11H18O4
MW:214.258224010468
CID:3176798
PubChem ID:458125
Update Time:2025-04-21

1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL- Chemical and Physical Properties

Names and Identifiers

    • 1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-
    • Oprea1_395873
    • 4-Methyl-1,1-cyclohexanediacetic acid
    • 2,2'-(4-Methylcyclohexane-1,1-diyl)diacetic acid
    • 85179-91-5
    • SR-01000316918
    • HMS1680N11
    • SCHEMBL2870420
    • AKOS000511675
    • 668-163-6
    • 2-[1-(carboxymethyl)-4-methyl-cyclohexyl]acetic acid
    • Oprea1_598201
    • SR-01000316918-1
    • Inchi: 1S/C11H18O4/c1-8-2-4-11(5-3-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
    • InChI Key: OUPWULBQQGPQFX-UHFFFAOYSA-N
    • SMILES: OC(CC1(CC(=O)O)CCC(C)CC1)=O

Computed Properties

  • Exact Mass: 214.12050905Da
  • Monoisotopic Mass: 214.12050905Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 233
  • 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: 2.1
  • Topological Polar Surface Area: 74.6?2
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