| CAS Number | 195071-06-8 |
| Catalog Number | AG01A0UE(AGN-PC-03KW51) |
| Chemical Name | 2-(2,3-Dihydro-1H-inden-1-yl)malonic acid |
| IUPAC Name | 2-(2,3-dihydro-1H-inden-1-yl)propanedioic acid |
| InChI | InChI=1S/C12H12O4/c13-11(14)10(12(15)16)9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2,(H,13,14)(H,15,16) |
| InChI Key | HTVUUKAYJQDTHI-UHFFFAOYSA-N |
| MDL Number | MFCD00053471 |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| SMILES | OC(C(C(O)=O)C1C2=C(C=CC=C2)CC1)=O |
| Synonyms | 2-(2,3-dihydro-1H-inden-1-yl)propanedioic acid,
195071-06-8,
2-(2,3-Dihydro-1H-inden-1-yl)malonic acid,
1-Indanylmalonic acid,
2-indanylpropanedioic acid,
2-Indan-1-ylmalonic acid,
SCHEMBL5158911,
SBB079397,
AKOS027445273,
MCULE-5538066377,
NE45447,
Z1431321918,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.224g/mol |
| Monoisotopic Mass | 220.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number