Xanthene-9-carboxylic acid
PubChem CID: 65736
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| Compound Synonyms | Xanthene-9-carboxylic acid, 9H-Xanthene-9-carboxylic acid, 82-07-5, Xanthenecarboxylic acid, Xanthanoic acid, 9-Xanthenecarboxylic acid, 63A81F6A8V, 9-CARBOXYXANTHENE, EINECS 201-394-9, MFCD00005059, NSC 66208, NSC-66208, XANTHANOIC ACID [USP-RS], DTXSID70231501, XANTHINE-9-CARBOXYLIC ACID, 9~{H}-xanthene-9-carboxylic acid, XANTHANOIC ACID (USP-RS), XANTHENE-9-CARBOXYLICACID, UNII-63A81F6A8V, UJQ, Maybridge1_006340, 9-xanthenylcarboxylic acid, CHEMBL520, Oprea1_658386, SCHEMBL40617, Xanthene-?9-?carboxylic acid, HMS559I04, DTXCID30153992, CHEBI:191142, Xanthene-9-carboxylic acid, 98%, NSC66208, STR04914, BBL010931, CCG-50997, STK801990, AKOS000119690, 9H-Xanthene-9-carboxylic acid (9CI), CS-W020578, PS-4501, XANTHENE CARBOXYLIC ACID (20%), AC-11924, RH 00001, NS00038165, X0031, EN300-19838, SR-01000640328-1, Q27263597, F2191-0100, Z104475708, Xanthanoic acid, United States Pharmacopeia (USP) Reference Standard, 201-394-9, InChI=1/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9H-xanthene-9-carboxylic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Is Pains | False |
| Molecular Formula | C14H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSBFNCXKYIEYIS-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Xanthene-9-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 226.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.14343554117647 |
| Inchi | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) |
| Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients