Cas no 4160-92-3 (3-methyl-3-phenylpentanedioic Acid)

3-methyl-3-phenylpentanedioic Acid structure
4160-92-3 structure
Product Name:3-methyl-3-phenylpentanedioic Acid
CAS No:4160-92-3
MF:C12H14O4
MW:222.237164020538
CID:1512772
PubChem ID:77814
Update Time:2025-04-21

3-methyl-3-phenylpentanedioic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-3-phenylpentanedioic acid
    • NSC51135
    • NCIStruc1_000621
    • AC1Q5VAJ
    • 3-Methyl-3-phenylglutaric acid
    • 3-methyl-3-phenyl-glutaric acid
    • 3-Methyl-3-phenyl-glutarsaeure
    • AC1L2TVH
    • NCIStruc2_000545
    • 3-methyl-3-phenyl-Pentanedioic acid
    • 3-methyl-3-phenylpentanedioicacid
    • A825609
    • Glutaric acid, 3-methyl-3-phenyl-
    • CCG-38234
    • NCGC00013636-02
    • 4160-92-3
    • AM805841
    • Q4RC4BBG69
    • NCI60_004235
    • NCGC00096748-01
    • NCGC00013636
    • LEHVKCUBJITYCL-UHFFFAOYSA-N
    • Pentanedioic acid, 3-methyl-3-phenyl-
    • NSC 51135
    • NS00031018
    • MFCD00020491
    • AKOS015917443
    • UNII-Q4RC4BBG69
    • BS-41756
    • Z1492979974
    • EN300-115845
    • NSC-51135
    • CHEMBL76143
    • SCHEMBL1604043
    • CS-0037805
    • DB-070204
    • NCI51135
    • DTXSID50194428
    • EINECS 223-999-7
    • 3-methyl-3-phenylpentanedioic Acid
    • MDL： MFCD00020491
    • Inchi： 1S/C12H14O4/c1-12(7-10(13)14,8-11(15)16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)(H,15,16)
    • InChI Key： LEHVKCUBJITYCL-UHFFFAOYSA-N
    • SMILES： OC(CC(C)(C1C=CC=CC=1)CC(=O)O)=O

Computed Properties

  • Exact Mass: 222.08922
  • Monoisotopic Mass: 222.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 250
  • 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
  • Topological Polar Surface Area: 74.6A^2
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.245
  • Boiling Point: 368.7°C at 760 mmHg
  • Flash Point: 191°C
  • Refractive Index: 1.552
  • PSA: 74.6
  • LogP: 1.89370

3-methyl-3-phenylpentanedioic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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 $ 95.00 2022-06-03
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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Enamine
EN300-115845-0.05g
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Enamine
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