| CAS Number | 4527-60-0 |
| Catalog Number | AG01A2WA(AGN-PC-00MMNP) |
| Chemical Name | 5-Methylnaphthalene-1-carboxylic acid |
| IUPAC Name | 5-methylnaphthalene-1-carboxylic acid |
| InChI | InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14) |
| InChI Key | VLEZTIKHFUAVRK-UHFFFAOYSA-N |
| MDL Number | MFCD18415107 |
| Molecular Formula | C12H10O2 |
| Molecular Weight | 186.2066 |
| SMILES | CC1=CC=CC=2C(=CC=CC12)C(=O)O |
| Synonyms | 5-methylnaphthalene-1-carboxylic acid,
4527-60-0,
1-Methylnaphthalene-5-carboxylic acid,
5-methyl-1-naphthoic acid,
1-Naphthalenecarboxylic acid, 5-methyl-,
1-methyl-5-naphthoic acid,
SCHEMBL3197711,
CHEBI:79082,
VLEZTIKHFUAVRK-UHFFFAOYSA-N,
ZINC39649381,
AKOS022642150,
MCULE-1025734955,
NE41134,
C20803,
Z1695926117,
5NE,
5-methyl-1-naphthoate,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.21g/mol |
| Monoisotopic Mass | 186.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number