| CAS Number | 367501-31-3 |
| Catalog Number | AG00CM3Q(AGN-PC-0WOI5W) |
| Chemical Name | 4-Amino-3-ethoxybenzoic acid |
| IUPAC Name | 4-amino-3-ethoxybenzoic acid |
| InChI | InChI=1S/C9H11NO3/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2,10H2,1H3,(H,11,12) |
| InChI Key | ZSXBMWHEQHCCRP-UHFFFAOYSA-N |
| MDL Number | MFCD12168720 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC1=C(N)C=CC(C(O)=O)=C1 |
| Synonyms | 4-amino-3-ethoxybenzoic acid,
367501-31-3,
4-Carboxy-2-ethoxyaniline,
4-Amino-3-ethoxy-benzoic acid,
SCHEMBL1560918,
benzoic acid,4-amino-3-ethoxy-,
ZSXBMWHEQHCCRP-UHFFFAOYSA-N,
Benzoic acid, 4-amino-3-ethoxy-,
MFCD12168720,
ZINC37289498,
AKOS009476157,
PS-11449,
AS-813/43502055,
J-514357,
ACN-034730,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number