| CAS Number | 1171072-86-8 |
| Catalog Number | AG019Z9Z |
| Chemical Name | 3-Amino-4-(propan-2-yloxy)benzoic acid |
| IUPAC Name | 3-amino-4-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C10H13NO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,11H2,1-2H3,(H,12,13) |
| InChI Key | YIAGHMRDAHWMKF-UHFFFAOYSA-N |
| MDL Number | MFCD12771614 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(OC1=C(N)C=C(C(O)=O)C=C1)C |
| Synonyms | 3-amino-4-(propan-2-yloxy)benzoic acid,
1171072-86-8,
3-amino-4-isopropoxybenzoic acid,
SCHEMBL10304691,
BBL032249,
STL381759,
ZINC30769553,
AKOS009475825,
MCULE-2143152491,
NE28089,
VS-11104,
Z1381287296,
RP25369,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.21g/mol |
| Monoisotopic Mass | 195.089543g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number