| CAS Number | 860187-45-7 |
| Catalog Number | AG00IDUT(AGN-PC-0WADT0) |
| Chemical Name | Methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate |
| IUPAC Name | methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate |
| InChI | InChI=1S/C9H8N2O3/c1-14-8(12)5-3-2-4-6-7(5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13) |
| InChI Key | BULWXRHKQXZHJY-UHFFFAOYSA-N |
| MDL Number | MFCD22562103 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | O=C(C1=C(N2)C(NC2=O)=CC=C1)OC |
| Synonyms | 860187-45-7,
Methyl 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate,
methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate,
Methyl 2-Oxo-2,3-dihydrobenzimidazole-4-carboxylate,
SCHEMBL2085775,
BULWXRHKQXZHJY-UHFFFAOYSA-N,
ZINC89195054,
AKOS024066820,
AK340919,
DS-12218,
SY039633,
AX8262288,
MFCD22562103 (95%),
Methyl 2-hydroxy-1H-benzimidazole-7-carboxylate,
Methyl 2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate,
2,3-dihydro-2-oxo-1H-Benzimidazole-4-carboxylic acid methyl ester,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number