| CAS Number | 117737-43-6 |
| Catalog Number | AG008T57(AGN-PC-00HNJA) |
| Chemical Name | 2-((2-Nitrophenyl)sulfinyl)acetic acid |
| IUPAC Name | 2-(2-nitrophenyl)sulfinylacetic acid |
| InChI | InChI=1S/C8H7NO5S/c10-8(11)5-15(14)7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11) |
| InChI Key | WBGWBUXHHKALPP-UHFFFAOYSA-N |
| MDL Number | MFCD02975878 |
| Molecular Formula | C8H7NO5S |
| Molecular Weight | 229.2099 |
| SMILES | [N+](=O)([O-])C1=CC([H])=CC=C1S(=O)CC(O)=O |
| Synonyms | 117737-43-6,
[(2-nitrophenyl)sulfinyl]acetic acid,
2-((2-Nitrophenyl)sulfinyl)acetic acid,
2-(2-nitrophenyl)sulfinylacetic Acid,
AC1LM3SI,
ZX-CM017013,
MFCD02975878,
AKOS001049246,
MCULE-9824656918,
BBV-32465449,
W-9927,
SR-01000243376,
SR-01000243376-1,
CID1122205,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.206g/mol |
| Monoisotopic Mass | 229.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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