| CAS Number | 98589-45-8 |
| Catalog Number | AG006R6V(AGN-PC-03JHC6) |
| Chemical Name | 2-(Benzo[d]thiazol-6-yl)acetic acid |
| IUPAC Name | 2-(1,3-benzothiazol-6-yl)acetic acid |
| InChI | InChI=1S/C9H7NO2S/c11-9(12)4-6-1-2-7-8(3-6)13-5-10-7/h1-3,5H,4H2,(H,11,12) |
| InChI Key | OAYOVBXHLNEPOD-UHFFFAOYSA-N |
| MDL Number | MFCD11900493 |
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.2224 |
| SMILES | O=C(O)CC1=CC=C2N=CSC2=C1 |
| Synonyms | 98589-45-8,
6-Benzothiazoleaceticacid,
2-(1,3-benzothiazol-6-yl)acetic acid,
2-(benzo[d]thiazol-6-yl)acetic acid,
benzothiazole-6-acetic acid,
benzothiazol-6-yl-acetic acid,
SCHEMBL414036,
CTK3I6254,
DTXSID30621909,
OAYOVBXHLNEPOD-UHFFFAOYSA-N,
ZINC31887419,
(1,3-Benzothiazol-6-yl)acetic acid,
AKOS022230271,
FT-0709176,
Z2510258156,
6-Benzothiazoleacetic acid (6CI,9CI),
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.22g/mol |
| Monoisotopic Mass | 193.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number