Homophthalic acid
PubChem CID: 66643
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| Compound Synonyms | Homophthalic acid, 89-51-0, 2-(Carboxymethyl)benzoic acid, Benzeneacetic acid, 2-carboxy-, 2-Carboxybenzeneacetic acid, alpha-Carboxy-o-toluic acid, (o-Carboxymethyl)benzoic acid, 2-Carboxyphenylacetic acid, (2-Carboxyphenyl)acetic acid, o-Toluic acid, alpha-carboxy-, Toluene-alpha,2-dicarboxylic acid, 3GE2MUV5GV, EINECS 201-913-9, MFCD00004326, NSC 15185, .alpha.-Carboxy-o-toluic acid, BRN 1872069, o-Toluic acid, .alpha.-carboxy-, Toluene-.alpha.,2-dicarboxylic acid, NSC-15185, o-Carboxybenzeneacetic acid, Phenacetic acid, 2-carboxy-, MLS000080552, DTXSID4058990, 4-09-00-03343 (Beilstein Handbook Reference), SMR000035334, Homophthalicacid, 2-Carboxymethyl-benzoic acid, homopthalic acid, a-Carboxy-o-toluic acid, Homophthalic acid, 98%, UNII-3GE2MUV5GV, ChemDiv2_003450, 2-carboxymethylbenzoic acid, Homophthalic acid (2-Carboxyphenylacetic acid), SCHEMBL27477, cid_66643, I+/--Carboxy-o-toluic acid, o-Toluic acid, I+--carboxy-, 2-(carboxymethyl)-benzoic acid, Homophthalic diacid (anhydride), 2-(2-Carboxyphenyl)acetic acid, CHEMBL1229545, DTXCID8048658, BDBM33525, 2-(Carboxymethyl)benzoic acid #, Toluene-I+-,2-dicarboxylic acid, HMS1378M18, HMS2404J09, NSC15185, NSC401692, STK720145, o-Toluic acid, alpha-carboxy-(8CI), AKOS000118873, 2-(2-hydroxy-2-oxoethyl)benzoic acid, CCG-202892, CS-W017223, FS-4160, NSC-401692, PB47625, SY048558, DB-057136, EU-0099869, NS00039333, T0262, EN300-19555, AC-907/25014248, AE-641/30105040, SR-01000597071, SR-01000597071-1, Q19597515, alpha-Carboxy-o-toluic acid, 2-Carboxyphenylacetic acid, F0913-5457, Z104474214 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P27695 |
| Iupac Name | 2-(carboxymethyl)benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C9H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHQLTKAVLJKSKR-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.261 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.981 |
| Compound Name | Homophthalic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0833242615384613 |
| Inchi | InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13) |
| Smiles | C1=CC=C(C(=C1)CC(=O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Picria Felterrae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all