| CAS Number | 1197578-31-6 |
| Catalog Number | AG019WQH |
| Chemical Name | 1-{[(prop-2-yn-1-yl)carbamoyl]amino}-2,3-dihydro-1H-indene-1-carboxylic acid |
| IUPAC Name | 1-(prop-2-ynylcarbamoylamino)-2,3-dihydroindene-1-carboxylic acid |
| InChI | InChI=1S/C14H14N2O3/c1-2-9-15-13(19)16-14(12(17)18)8-7-10-5-3-4-6-11(10)14/h1,3-6H,7-9H2,(H,17,18)(H2,15,16,19) |
| InChI Key | FTCOIUQEHUCDGY-UHFFFAOYSA-N |
| MDL Number | MFCD12913168 |
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.2726 |
| SMILES | OC(C1(NC(NCC#C)=O)C2=C(C=CC=C2)CC1)=O |
| Synonyms | 1-{[(prop-2-yn-1-yl)carbamoyl]amino}-2,3-dihydro-1H-indene-1-carboxylic acid,
1197578-31-6,
EN300-52826,
1-[(prop-2-yn-1-ylcarbamoyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid,
AC1Q71ZF,
CTK5J0795,
AKOS034591321,
MCULE-7792620249,
NE48803,
Z802665906,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.277g/mol |
| Monoisotopic Mass | 258.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number