| CAS Number | 1251924-59-0 |
| Catalog Number | AG01AA0T(AGN-PC-0WOFQR) |
| Chemical Name | 1-Acetamido-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
| IUPAC Name | 1-acetamido-3,4-dihydro-2H-naphthalene-1-carboxylic acid |
| InChI | InChI=1S/C13H15NO3/c1-9(15)14-13(12(16)17)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | FFZZRLPMKXOLLS-UHFFFAOYSA-N |
| MDL Number | MFCD16817518 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | CC(NC1(C(O)=O)C2=C(C=CC=C2)CCC1)=O |
| Synonyms | 1-acetamido-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,
1251924-59-0,
1-(acetylamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,
AC1Q1KGY,
MFCD16817518,
AKOS012250682,
MCULE-9863178527,
NE54228,
BS-12184,
EN300-66728,
Z234897189,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number