| CAS Number | 132122-28-2 |
| Catalog Number | AG00108N(AGN-PC-01NIJJ) |
| Chemical Name | 4-Formyl-1-methyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-formyl-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c1-8-3-5(4-9)2-6(8)7(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | UNENKAJBDVFWSE-UHFFFAOYSA-N |
| MDL Number | MFCD13174821 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | CN1C(C(O)=O)=CC(C=O)=C1 |
| Synonyms | 132122-28-2,
4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid,
1H-PYRROLE-2-CARBOXYLIC ACID, 4-FORMYL-1-METHYL-,
1H-Pyrrole-2-carboxylic acid, 4-formyl-1-methyl- (9CI),
ACMC-20mud9,
SCHEMBL1441399,
CTK0H0052,
DTXSID00591923,
UNENKAJBDVFWSE-UHFFFAOYSA-N,
ZINC39057652,
AKOS013400089,
DB-062879,
FT-0760609,
[4-formyl-1-methyl-1H-pyrrol-2-yl]-carboxylic acid,
1H-Pyrrole-2-carboxylicacid,4-formyl-1-methyl-,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.137g/mol |
| Monoisotopic Mass | 153.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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