| CAS Number | 1193397-42-0 |
| Catalog Number | AG01AF3L(AGN-PC-0WOVPC) |
| Chemical Name | 1-(prop-2-en-1-yl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-prop-2-enylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C8H12O2/c1-2-4-8(7(9)10)5-3-6-8/h2H,1,3-6H2,(H,9,10) |
| InChI Key | XBCOSOXSXIPKGH-UHFFFAOYSA-N |
| MDL Number | MFCD19229282 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | OC(C1(CCC1)CC=C)=O |
| Synonyms | 1-(prop-2-en-1-yl)cyclobutane-1-carboxylic acid,
1193397-42-0,
1-allylcyclobutanecarboxylic acid,
SCHEMBL16151058,
XBCOSOXSXIPKGH-UHFFFAOYSA-N,
ZINC78749436,
AKOS006376326,
MCULE-4876623874,
NE27464,
Z1834223506,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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