| CAS Number | 99183-12-7 |
| Catalog Number | AG01AHYY(AGN-PC-0WO60P) |
| Chemical Name | 2-(1-Hydroxycycloheptyl)acetic acid |
| IUPAC Name | 2-(1-hydroxycycloheptyl)acetic acid |
| InChI | InChI=1S/C9H16O3/c10-8(11)7-9(12)5-3-1-2-4-6-9/h12H,1-7H2,(H,10,11) |
| InChI Key | BUWXYMMPKVJGKZ-UHFFFAOYSA-N |
| MDL Number | MFCD16749087 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | OC(CC1(CCCCCC1)O)=O |
| Synonyms | 2-(1-hydroxycycloheptyl)acetic acid,
99183-12-7,
Cycloheptaneaceticacid,1-hydroxy-,
SCHEMBL304486,
1-Hydroxycycloheptaneacetic acid,
BUWXYMMPKVJGKZ-UHFFFAOYSA-N,
ZINC52248923,
AKOS011680867,
MCULE-4067052677,
NE60623,
EN300-76201,
Z1259339768,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number