| CAS Number | 411238-08-9 |
| Catalog Number | AG00CS8K(AGN-PC-07ACLD) |
| Chemical Name | 1-(Prop-2-en-1-yl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-prop-2-enylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C9H14O2/c1-2-5-9(8(10)11)6-3-4-7-9/h2H,1,3-7H2,(H,10,11) |
| InChI Key | OURQETBSYVIMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD20641177 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | OC(C1(CCCC1)CC=C)=O |
| Synonyms | 411238-08-9,
1-allylcyclopentanecarboxylic acid,
1-(Prop-2-en-1-yl)cyclopentane-1-carboxylic acid,
Cyclopentanecarboxylic acid, 1-(2-propenyl)- (9CI),
SCHEMBL11634222,
CTK1D5292,
DTXSID90665708,
OURQETBSYVIMIZ-UHFFFAOYSA-N,
ZINC39066359,
AKOS016000092,
Cyclopentanecarboxylicacid, 1-(2-propen-1-yl)-,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number