Cas no 1401343-31-4 (H3TBTC)

H3TBTC structure
H3TBTC structure
Product Name:H3TBTC
CAS No:1401343-31-4
MF:C33H30O9
MW:570.5859
CID:3036730
PubChem ID:91810417
Update Time:2024-11-04

H3TBTC Chemical and Physical Properties

Names and Identifiers

    • 4,4',4''-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoicacid
    • ML01013
    • 4,4',4''-(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methyleneoxy)trisbenzoic acid
    • 4,4',4''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid
    • 4-[[3,5-Bis[(4-carboxyphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]benzoic acid
    • H3TBTC
    • BS-51967
    • F73353
    • CS-0110049
    • 4,4,4 inverted exclamation marka-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid
    • 4-{[3,5-bis(4-carboxyphenoxymethyl)-2,4,6-trimethylphenyl]methoxy}benzoic acid
    • 4,4',4''-{[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(oxy)}tribenzoic acid
    • YSZC318
    • 1401343-31-4
    • Inchi: 1S/C33H30O9/c1-19-28(16-40-25-10-4-22(5-11-25)31(34)35)20(2)30(18-42-27-14-8-24(9-15-27)33(38)39)21(3)29(19)17-41-26-12-6-23(7-13-26)32(36)37/h4-15H,16-18H2,1-3H3,(H,34,35)(H,36,37)(H,38,39)
    • InChI Key: GIVPFNWTXATYKC-UHFFFAOYSA-N
    • SMILES: O(C1C([H])=C([H])C(C(=O)O[H])=C([H])C=1[H])C([H])([H])C1C(C([H])([H])[H])=C(C([H])([H])OC2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])C(C([H])([H])[H])=C(C([H])([H])OC2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])C=1C([H])([H])[H]

Computed Properties

  • Exact Mass: 570.18898253g/mol
  • Monoisotopic Mass: 570.18898253g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 12
  • Complexity: 752
  • 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: 140
  • XLogP3: 6

H3TBTC Pricemore >>

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