| CAS Number | 7206-61-3 |
| Catalog Number | AG005DAZ(AGN-PC-00FAGW) |
| Chemical Name | 1-Azulenecarboxaldehyde |
| IUPAC Name | azulene-1-carbaldehyde |
| InChI | InChI=1S/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H |
| InChI Key | CZRXLQPVJOJLML-UHFFFAOYSA-N |
| MDL Number | MFCD19301077 |
| Molecular Formula | C11H8O |
| Molecular Weight | 156.1806 |
| SMILES | O=CC1=C2C=CC=CC=C2C=C1 |
| Synonyms | Azulene-1-carbaldehyde,
1-Formylazulene,
7206-61-3,
1-Azulenecarboxaldehyde,
Azulene-1-carboxaldehyde,
Azulenaldehyd,
azulene aldehyde,
3-Azulenaldehyd,
Azulenecarboxaldehyde,
ACMC-20hdiq,
SCHEMBL224642,
CTK2H2952,
CZRXLQPVJOJLML-UHFFFAOYSA-,
CZRXLQPVJOJLML-UHFFFAOYSA-N,
MFCD19301077,
ZINC36404150,
InChI=1/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H,
95098-31-0,
CID11744870,
A2752,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.184g/mol |
| Monoisotopic Mass | 156.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number