Cas no 1582811-97-9 (H2MDCPB)

H2MDCPB structure
H2MDCPB structure
Product Name:H2MDCPB
CAS No:1582811-97-9
MF:C21H16O4
MW:332.349346160889
CID:3041470
PubChem ID:91166622
Update Time:2024-11-08

H2MDCPB Chemical and Physical Properties

Names and Identifiers

    • [1,1:3,1-Terphenyl]-4,4-dicarboxylic acid,5-methyl-
    • 4-[3-(4-Carboxyphenyl)-5-methylphenyl]benzoic acid
    • H2MDCPB
    • YSZC397
    • CS-0110485
    • 1582811-97-9
    • F76975
    • [1,1:3,1-Terphenyl]-4,4-dicarboxylicacid,5-methyl-
    • BS-45443
    • 5'-Methyl-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
    • 3'-(4-carboxyphenyl)-5'-methyl-[1,1'-biphenyl]-4-carboxylic acid
    • Inchi: 1S/C21H16O4/c1-13-10-18(14-2-6-16(7-3-14)20(22)23)12-19(11-13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)
    • InChI Key: XTEFXDSIWNENNF-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=C(C)C=C(C2C=CC(C(=O)O)=CC=2)C=1)=O

Computed Properties

  • Exact Mass: 332.10485899g/mol
  • Monoisotopic Mass: 332.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 430
  • 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: 74.6
  • XLogP3: 4.6

H2MDCPB Pricemore >>

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