| CAS Number | 26516-28-9 |
| Catalog Number | AG01A96Q(AGN-PC-09DQQL) |
| Chemical Name | 1-Methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
| IUPAC Name | 1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid |
| InChI | InChI=1S/C12H14O2/c1-12(11(13)14)8-4-6-9-5-2-3-7-10(9)12/h2-3,5,7H,4,6,8H2,1H3,(H,13,14) |
| InChI Key | GKAFAFBEKXKBLN-UHFFFAOYSA-N |
| MDL Number | MFCD16547661 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CC1(C(O)=O)C2=C(C=CC=C2)CCC1 |
| Synonyms | 1-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,
26516-28-9,
AC1Q2CY7,
SCHEMBL4851505,
AKOS008152525,
MCULE-5534404492,
NE32479,
EN300-64333,
1,2,3,4-Tetrahydro-1-methyl-1-naphthalenecarboxylic acid,
CID10954341,
1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic Acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number