| CAS Number | 68230-59-1 |
| Catalog Number | AG005LOU(AGN-PC-0JPCVU) |
| Chemical Name | 10H-phenothiazine-3-carboxylic acid |
| IUPAC Name | 10H-phenothiazine-3-carboxylic acid |
| InChI | InChI=1S/C13H9NO2S/c15-13(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)14-10/h1-7,14H,(H,15,16) |
| InChI Key | ZAZBAXPDYNCBBL-UHFFFAOYSA-N |
| MDL Number | MFCD18447863 |
| Molecular Formula | C13H9NO2S |
| Molecular Weight | 243.2811 |
| NSC Number | 158946 |
| SMILES | OC(=O)c1ccc2c(c1)Sc1c(N2)cccc1 |
| Synonyms | 10H-Phenothiazine-3-carboxylic acid,
Phenothiazine-3-carboxylic acid,
68230-59-1,
AC1Q5USN,
AC1L6IQ9,
SCHEMBL5121603,
CTK5C7583,
ZAZBAXPDYNCBBL-UHFFFAOYSA-N,
ZINC1606209,
NSC158946,
NSC-158946,
10H-Phenothiazine-3-carboxylic acid #,
AR-1C0205,
CID292784,
68498-51-1,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.28g/mol |
| Monoisotopic Mass | 243.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number