| CAS Number | 5655-26-5 |
| Catalog Number | AG00EZP9(AGN-PC-000P1E) |
| Chemical Name | 2-(Chroman-4-yl)acetic acid |
| IUPAC Name | 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,12,13) |
| InChI Key | BEALYTAVZUJEOO-UHFFFAOYSA-N |
| MDL Number | MFCD11172888 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC(CC1C2=CC=CC=C2OCC1)=O |
| Synonyms | 2-(chroman-4-yl)acetic acid,
5655-26-5,
2-(3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid,
SCHEMBL8143471,
DTXSID00557342,
MFCD11172888,
AKOS009219521,
MCULE-2696167313,
NE25999,
3,4-Dihydro-2H-chromen-4-ylacetic acid,
SC-36570,
EN300-80203,
(3,4-Dihydro-2H-1-benzopyran-4-yl)acetic acid,
2-(3,4-DIHYDRO-2H-CHROMEN-4-YL)ACETIC ACID,
Z1259340992,
|
| Complexity | 215 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number