| CAS Number | 13534-79-7 |
| Catalog Number | AG00AJDV(AGN-PC-0WD4JI) |
| Chemical Name | Methyl 6-phenylpyrazine-2-carboxylate |
| IUPAC Name | methyl 6-phenylpyrazine-2-carboxylate |
| InChI | InChI=1S/C12H10N2O2/c1-16-12(15)11-8-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChI Key | ZUJHUMDDQJUYDK-UHFFFAOYSA-N |
| MDL Number | MFCD11520500 |
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.2200 |
| SMILES | COC(=O)C1=NC(=CN=C1)C1=CC=CC=C1 |
| Synonyms | methyl 6-phenylpyrazine-2-carboxylate,
13534-79-7,
SCHEMBL319424,
DTXSID50701499,
ZUJHUMDDQJUYDK-UHFFFAOYSA-N,
MFCD11520500,
ZINC95616542,
AKOS022178255,
AM807472,
AS-32316,
AJ-132779,
AX8283497,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.224g/mol |
| Monoisotopic Mass | 214.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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