| CAS Number | 933735-27-4 |
| Catalog Number | AG0191MO(AGN-PC-0WBPR4) |
| Chemical Name | 3-(1,3-thiazol-4-yl)propanoic acid |
| IUPAC Name | 3-(1,3-thiazol-4-yl)propanoic acid |
| InChI | InChI=1S/C6H7NO2S/c8-6(9)2-1-5-3-10-4-7-5/h3-4H,1-2H2,(H,8,9) |
| InChI Key | FKMVNXSTIGKBCM-UHFFFAOYSA-N |
| MDL Number | MFCD11180958 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | OC(=O)CCc1cscn1 |
| Synonyms | 3-(1,3-thiazol-4-yl)propanoic acid,
933735-27-4,
4-THIAZOLEPROPANOIC ACID,
3-(thiazol-4-yl)propanoic acid,
SCHEMBL907879,
AC1Q759I,
CTK5H2406,
DTXSID30655522,
ZINC36895633,
AKOS008122213,
MCULE-3188158342,
NE51553,
EN300-56392,
F2173-0029,
4-Thiazolepropanoicacid,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number