| CAS Number | 137352-74-0 |
| Catalog Number | AG001365(AGN-PC-0WB407) |
| Chemical Name | 3-Methyl-4-(1H-pyrrol-1-YL)phenol |
| IUPAC Name | 3-methyl-4-pyrrol-1-ylphenol |
| InChI | InChI=1S/C11H11NO/c1-9-8-10(13)4-5-11(9)12-6-2-3-7-12/h2-8,13H,1H3 |
| InChI Key | ANIQGOBXYWPCFE-UHFFFAOYSA-N |
| MDL Number | MFCD10686603 |
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.2111 |
| SMILES | N1(C=CC=C1)C1C=CC(=CC=1C)O |
| Synonyms | 3-METHYL-4-(1H-PYRROL-1-YL)PHENOL,
137352-74-0,
CTK4C0751,
DTXSID90589733,
ZINC8702357,
MFCD10686603,
AKOS000101056,
MCULE-5150433537,
AJ-58573,
Phenol, 3-methyl-4-(1H-pyrrol-1-yl)-,
Y-6378,
3-METHYL-4- PHENOL,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.215g/mol |
| Monoisotopic Mass | 173.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number