| CAS Number | 77267-97-1 |
| Catalog Number | AG00ITV6(AGN-PC-026US1) |
| Chemical Name | 4-(2,5-Dihydroxyphenyl)butanoic acid |
| IUPAC Name | 4-(2,5-dihydroxyphenyl)butanoic acid |
| InChI | InChI=1S/C10H12O4/c11-8-4-5-9(12)7(6-8)2-1-3-10(13)14/h4-6,11-12H,1-3H2,(H,13,14) |
| InChI Key | OJMDOCWYHKEGQO-UHFFFAOYSA-N |
| MDL Number | MFCD16089994 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | OC(CCCC1=C(O)C=CC(O)=C1)=O |
| Synonyms | 4-(2,5-dihydroxyphenyl)butanoic acid,
77267-97-1,
SCHEMBL3842422,
KS-00002AZJ,
ZINC52513989,
AKOS015994520,
MCULE-1410764570,
SS-3024,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number