| CAS Number | 1039758-67-2 |
| Catalog Number | AG00964Z(AGN-PC-06PP14) |
| Chemical Name | 1-Cyclopropyl-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-cyclopropylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C8H9NO/c10-6-8-2-1-5-9(8)7-3-4-7/h1-2,5-7H,3-4H2 |
| InChI Key | PPAXARQIEKNOJI-UHFFFAOYSA-N |
| MDL Number | MFCD12181369 |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.1632 |
| SMILES | N1(C=CC=C1C=O)C1CC1 |
| Synonyms | 1-cyclopropyl-1H-pyrrole-2-carbaldehyde,
1039758-67-2,
1H-Pyrrole-2-carboxaldehyde, 1-cyclopropyl-,
SCHEMBL308586,
PPAXARQIEKNOJI-UHFFFAOYSA-N,
4702AH,
ZINC35431348,
AKOS009517135,
AM90494,
1-cyclopropyl-1H-pyrrol-2-carbaldehyde,
DA-16032,
FT-0708229,
Y-7079,
J-001080,
1-Cyclopropyl-1H-pyrrole-2-carbaldehyde, AldrichCPR,
C8H9NO,
AJ-91372,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.068414g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.16g/mol |
| Monoisotopic Mass | 135.068414g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number