| CAS Number | 930395-61-2 |
| Catalog Number | AG019PAJ |
| Chemical Name | 4-[(thiophen-3-yl)formamido]butanoic acid |
| IUPAC Name | 4-(thiophene-3-carbonylamino)butanoic acid |
| InChI | InChI=1S/C9H11NO3S/c11-8(12)2-1-4-10-9(13)7-3-5-14-6-7/h3,5-6H,1-2,4H2,(H,10,13)(H,11,12) |
| InChI Key | KQOPIDYJJRHATP-UHFFFAOYSA-N |
| MDL Number | MFCD09383878 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | OC(CCCNC(C1=CSC=C1)=O)=O |
| Synonyms | 4-(thiophen-3-ylformamido)butanoic acid,
4-[(thien-3-ylcarbonyl)amino]butanoic acid,
930395-61-2,
AC1Q75I0,
CTK7J3724,
ZINC12504849,
AKOS000118193,
MCULE-8499486979,
NE32231,
EN300-22998,
4-(thiophene-3-carboxamido)butanoic acid,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number