| CAS Number | 4488-44-2 |
| Catalog Number | AG01DMQM |
| Chemical Name | 1-methylnaphthalene-2-carboxylic Acid |
| IUPAC Name | 1-methylnaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C12H10O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3,(H,13,14) |
| InChI Key | IDTDAMGQDWDZEU-UHFFFAOYSA-N |
| MDL Number | MFCD00094233 |
| Molecular Formula | C12H10O2 |
| Molecular Weight | 186.2066 |
| SMILES | CC1=C2C(C=CC=C2)=CC=C1C(O)=O |
| Synonyms | 1-methylnaphthalene-2-carboxylic Acid,
4488-44-2,
2-Naphthalenecarboxylic acid, 1-methyl-,
1-Methyl-naphthalene-2-carboxylic acid,
AC1MBKAS,
1-methyl-2-naphthoic acid,
SCHEMBL248146,
CTK1C7801,
DTXSID80372873,
ZINC2173514,
AKOS004907128,
1-methyl naphthalene-2-carboxylic acid,
CID2752044,
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| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number