Squaric acid
PubChem CID: 17913
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| Compound Synonyms | Squaric acid, 3,4-Dihydroxy-3-cyclobutene-1,2-dione, 2892-51-5, Quadratic acid, 3,4-dihydroxycyclobut-3-ene-1,2-dione, 3-Cyclobutene-1,2-dione, 3,4-dihydroxy-, Quadratsaeure, Cyclobutenedione, dihydroxy-, 1,2-Diketo-3,4-dihydroxycyclobutene, dihydroxycyclobut-3-ene-1,2-dione, Dihydroxycyclobutenedione, Cyclobutanetetrone, 1,2-Dihydroxycyclobutene-3,4-dione, MFCD00001334, 3,4-Dihydroxy-cyclobutene-1,2-dione, CCRIS 6793, NSC 125692, SVR9D0VODW, UNII-SVR9D0VODW, EINECS 220-761-4, 1,2-Dihydroxycyclobutenedione, CYCLOBUTENE-1,2-DIONE, 3,4-DIHYDROXY-, BRN 0774275, DTXSID9049409, AI3-61444, 1,2-dioxo-3,4-dihydroxycyclobutene, SQUARIC ACID [MI], 1,2-DIHYDROXY CYCLOBUTENEDIONE, NSC-125692, 3,4-Dihydroxy-3-cyclobuten-1,2-dion, 1,2-dioxo-3,4-dihydroxycyclobut-3-ene, SQUARIC ACID [WHO-DD], DTXCID8029369, CHEBI:52141, 3,4-Dihydroxy-3-cyclobuten-1,2-dion [IUPAC], 4-08-00-02701 (Beilstein Handbook Reference), NSC624671, 3-Cyclobutene-1,2-dione,3,4-dihydroxy-, Diketocyclobutenediol, 3,4-dihydroxy-3-cyclobutene-2-dione, QUADRATIC ACID, 31150-56-8, 3,4-Dihydroxy-3-cyclobuten-1,2-dion (IUPAC), 1,2-DIHYDROXY-1-CYCLOBUTEN-3,4-DIONE, 3,2-dione, 1,4-dihydroxycyclobutene, Cyclobutenedione, dihydroxy, 1,2Dihydroxycyclobutenedione, WLN: L4VVTJ CQ DQ, SCHEMBL56172, 76719-54-5, 3,4Dihydroxy3cyclobuten1,2dion, 1,2Dihydroxycyclobutene3,4dione, 3,4Dihydroxycyclobutene1,2dione, Cyclobutene-1, 3,4-dihydroxy-, 1,2Diketo3,4dihydroxycyclobutene, DTXSID10420518, 3,4Dihydroxy3cyclobutene1,2dione, cyclobutenedione, 3,4-dihydroxy-, Cyclobutenedione, dihydroxy (8CI), Cyclobutenedione, dihydroxy-(8CI), 3-Cyclobutene-1, 3,4-dihydroxy-, Cyclobutene1,2dione, 3,4dihydroxy, STR05257, Tox21_202819, 1,2-Dihydroxy-3,4-cyclobutenedione, 3Cyclobutene1,2dione, 3,4dihydroxy, BBL011240, NSC125692, STK936793, 1-Cyclobutene-3,4-dione-1,2-diol, AKOS000121580, CS-W019969, FD13829, NSC 624671, NSC-624671, SB11012, 1,2-dihydroxy-l-cyclobutene-3,4-dione, 3,4-dihydroxy-3-cyclobuten-1,2-dione, 1,2-dihydroxy-1-cyclobutene-3,4-dione, NCGC00260365-01, AC-22924, BP-10690, SY002206, 3,4-dihydroxy-cyclobut-3-ene-1,2-dione, CAS-2892-51-5, DB-028257, D1399, NS00028581, EN300-16613, 3,4-Dihydroxy-3-cyclobutene-1,2-dione, 99%, Q903298, Q3008466, Z56347217, F0001-0904, 3,4-Dihydroxy-3-cyclobutene-1,2-dione, Lonza quality, 98.50-101.00% (w/w) (HPLC) |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydroxycyclobut-3-ene-1,2-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Is Pains | False |
| Molecular Formula | C4H2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWEBUXCTKOWPCW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Squaric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 113.995 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 113.995 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 114.06 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4635471999999998 |
| Inchi | InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H |
| Smiles | C1(=C(C(=O)C1=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients