| CAS Number | 1032667-87-0 |
| Catalog Number | AG019EU7(AGN-PC-0WQVOR) |
| Chemical Name | Methyl 2-amino-5-cyano-3-methylbenzoate |
| IUPAC Name | methyl 2-amino-5-cyano-3-methylbenzoate |
| InChI | InChI=1S/C10H10N2O2/c1-6-3-7(5-11)4-8(9(6)12)10(13)14-2/h3-4H,12H2,1-2H3 |
| InChI Key | UHFVZQIOQVEYQM-UHFFFAOYSA-N |
| MDL Number | MFCD20697055 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | CC1=CC(=CC(=C1N)C(=O)OC)C#N |
| Synonyms | methyl 2-amino-5-cyano-3-methylbenzoate,
1032667-87-0,
SCHEMBL14645844,
UHFVZQIOQVEYQM-UHFFFAOYSA-N,
MFCD20697055,
AKOS027256037,
ZINC142980756,
FCH1278132,
TZ000914,
CS-0035832,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number