| CAS Number | 13366-01-3 |
| Catalog Number | AG01AN2C |
| Chemical Name | 2-Methyl-2-(naphthalen-1-yl)propanoic acid |
| IUPAC Name | 2-methyl-2-naphthalen-1-ylpropanoic acid |
| InChI | InChI=1S/C14H14O2/c1-14(2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16) |
| InChI Key | GCOOBWJNMRZHBR-UHFFFAOYSA-N |
| MDL Number | MFCD11036969 |
| Molecular Formula | C14H14O2 |
| Molecular Weight | 214.2598 |
| SMILES | CC(C1=C2C=CC=CC2=CC=C1)(C)C(O)=O |
| Synonyms | 2-methyl-2-(naphthalen-1-yl)propanoic acid,
13366-01-3,
.alpha.-1-Naphthylisobutyric acid,
AC1LCB0Z,
SCHEMBL4678773,
GCOOBWJNMRZHBR-UHFFFAOYSA-N,
MFCD11036969,
ZINC32208485,
AKOS011682481,
2-methyl-2-naphthalen-1-ylpropanoic acid,
2-Methyl-2-(1-naphthyl)propanoic acid #,
Z2217316118,
CID598088,
1-naphthaleneacetic acid, alpha,alpha-dimethyl-,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.264g/mol |
| Monoisotopic Mass | 214.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number