| CAS Number | 852916-94-0 |
| Catalog Number | AG00IDMF |
| Chemical Name | 1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde |
| InChI | InChI=1S/C16H17NO/c1-11-8-15(10-18)12(2)17(11)16-7-6-13-4-3-5-14(13)9-16/h6-10H,3-5H2,1-2H3 |
| InChI Key | OMLYKAWORXAFAT-UHFFFAOYSA-N |
| MDL Number | MFCD06655752 |
| Molecular Formula | C16H17NO |
| Molecular Weight | 239.3123 |
| SMILES | CC1N(C2=CC3=C(CCC3)C=C2)C(C)=C(C=O)C=1 |
| Synonyms | 1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde,
852916-94-0,
AC1NLQGT,
AC1Q2III,
SCHEMBL17802309,
CTK7H8958,
ZINC3888789,
MFCD06655752,
AKOS008998957,
MCULE-6893879151,
NE22553,
EN300-13261,
SR-01000068700,
SR-01000068700-1,
1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde,
ZINC03888789,
CID4962327,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.318g/mol |
| Monoisotopic Mass | 239.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number