| CAS Number | 116707-04-1 |
| Catalog Number | AG01B3Z1(AGN-PC-01XTSB) |
| Chemical Name | 2-Methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one |
| IUPAC Name | 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one |
| InChI | InChI=1S/C14H18O/c1-10(2)14(15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3 |
| InChI Key | PKYHRNBZZLBTAA-UHFFFAOYSA-N |
| MDL Number | MFCD09891213 |
| Molecular Formula | C14H18O |
| Molecular Weight | 202.2921 |
| SMILES | CC(C(C1=CC2=C(CCCC2)C=C1)=O)C |
| Synonyms | 2-Methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one,
116707-04-1,
SCHEMBL5716842,
PKYHRNBZZLBTAA-UHFFFAOYSA-N,
ZINC11631529,
AKOS000346175,
AZ0001-0198,
2-methyl-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-propanone,
MFCD11551281,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.297g/mol |
| Monoisotopic Mass | 202.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number