| CAS Number | 4515-89-3 |
| Catalog Number | AG00I8HT(AGN-PC-0N0FOY) |
| Chemical Name | Cyclopropanecarboxaldehyde, 1-methyl- |
| IUPAC Name | 1-methylcyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3 |
| InChI Key | DOJZSEYEQKWUSI-UHFFFAOYSA-N |
| MDL Number | MFCD20040089 |
| Molecular Formula | C5H8O |
| Molecular Weight | 84.1164 |
| SMILES | O=CC1(C)CC1 |
| Synonyms | 1-methylcyclopropanecarbaldehyde,
4515-89-3,
1-methylcyclopropane-1-carbaldehyde,
Cyclopropanecarboxaldehyde, 1-methyl-,
methylcyclopropanecarbaldehyde,
1-Methylcyclopropylcarboxaldehyde,
1-Methyl-cyclopropanecarbaldehyde,
DOJZSEYEQKWUSI-UHFFFAOYSA-N,
MFCD20040089,
ZINC20440038,
AKOS023427483,
NE42806,
CS-0091473,
FT-0763226,
1-methylcyclopropanecarboxaldehyde,
CID10197619,
|
| Complexity | 72 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 84.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 84.118g/mol |
| Monoisotopic Mass | 84.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number