| CAS Number | 565170-66-3 |
| Catalog Number | AG019I42 |
| Chemical Name | 2-(1,2-Dihydroacenaphthylen-5-ylsulfanyl)acetic acid |
| IUPAC Name | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid |
| InChI | InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16) |
| InChI Key | ILIYQPKGPUGGBV-UHFFFAOYSA-N |
| MDL Number | MFCD03978346 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.3089 |
| SMILES | OC(CSC1=C2C3=C(CCC3=CC=C2)C=C1)=O |
| Synonyms | 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid,
(Acenaphthen-5-ylsulfanyl)-acetic acid,
565170-66-3,
EN300-05568,
Enamine_005563,
AC1M6WU8,
AC1Q76AO,
CTK7J5662,
HMS1409M19,
ZINC3315933,
AKOS000116481,
MCULE-8641438383,
Z56907467,
CID2431658,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.308g/mol |
| Monoisotopic Mass | 244.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number