| CAS Number | 1184181-48-3 |
| Catalog Number | AG008YEL(AGN-PC-0WCN0L) |
| Chemical Name | 2,4-Dihydroxy-5-isopropylbenzoic acid |
| IUPAC Name | 2,4-dihydroxy-5-propan-2-ylbenzoic acid |
| InChI | InChI=1S/C10H12O4/c1-5(2)6-3-7(10(13)14)9(12)4-8(6)11/h3-5,11-12H,1-2H3,(H,13,14) |
| InChI Key | JAMMFVLHQOLNOP-UHFFFAOYSA-N |
| MDL Number | MFCD16996083 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O=C(O)C1=C(O)C=C(O)C(C(C)C)=C1 |
| Synonyms | 2,4-dihydroxy-5-isopropylbenzoic acid,
1184181-48-3,
SCHEMBL18677495,
DTXSID50856630,
KS-00000T4N,
CL4158,
MFCD16996083,
ZINC91692978,
AKOS025404747,
DS-8733,
FCH1188701,
MB19822,
QC-4439,
2,4-dihydroxy-5-propan-2-ylbenzoic acid,
AK174561,
2,4-DIHYDROXY-5-(PROPAN-2-YL)BENZOIC ACID,
|
| Complexity | 214 |
| 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 | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number