| CAS Number | 1019127-35-5 |
| Catalog Number | AG01A9LP |
| Chemical Name | 2-(4,5,6,7-Tetrahydro-1-benzothiophen-2-ylformamido)acetic acid |
| IUPAC Name | 2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetic acid |
| InChI | InChI=1S/C11H13NO3S/c13-10(14)6-12-11(15)9-5-7-3-1-2-4-8(7)16-9/h5H,1-4,6H2,(H,12,15)(H,13,14) |
| InChI Key | ZUCWOWQTTVMESP-UHFFFAOYSA-N |
| MDL Number | MFCD11130303 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | OC(CNC(C1SC2=C(CCCC2)C=1)=O)=O |
| Synonyms | 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylformamido)acetic acid,
1019127-35-5,
AC1Q75ZB,
ZINC19835163,
AKOS000209456,
MCULE-7382055209,
NE44604,
EN300-65452,
Z85887019,
2-[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)formamido]acetic acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number