| CAS Number | 62956-62-1 |
| Catalog Number | AG00EL4X(AGN-PC-0ALRL4) |
| Chemical Name | 6-METHOXYINDANE-1-CARBOXYLIC ACID |
| IUPAC Name | 6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8/h2,4,6,9H,3,5H2,1H3,(H,12,13) |
| InChI Key | NYAXSJZIUOHLMW-UHFFFAOYSA-N |
| MDL Number | MFCD01719622 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | COC1=CC=C2CCC(C2=C1)C(=O)O |
| Synonyms | 6-Methoxy-2,3-dihydro-1H-indene-1-carboxylic acid,
62956-62-1,
BRN 2645382,
1H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-,
6-methoxyindan-1-carboxylic acid,
6-METHOXYINDANE-1-CARBOXYLIC ACID,
AC1MIL0U,
4-10-00-01040 (Beilstein Handbook Reference),
SCHEMBL1842495,
NYAXSJZIUOHLMW-UHFFFAOYSA-N,
6-Methoxy-indane-1-carboxylic acid,
AKOS017516283,
AB09851,
NE23605,
LS-81637,
Z2510258132,
C11-H12-O3,
CID3047141,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number