| CAS Number | 4535-96-0 |
| Catalog Number | AG00I8IA(AGN-PC-00G7RJ) |
| Chemical Name | Methyl 1-phenylcyclopentane-1-carboxylate |
| IUPAC Name | methyl 1-phenylcyclopentane-1-carboxylate |
| InChI | InChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChI Key | GIBVXUDPIGVGMR-UHFFFAOYSA-N |
| MDL Number | MFCD12031849 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | COC(C1(C2=CC=CC=C2)CCCC1)=O |
| Synonyms | 4535-96-0,
Methyl 1-phenylcyclopentane-1-carboxylate,
methyl-1-phenyl-1-cyclopentanecarboxylate,
methyl 1-phenylcyclopentanecarboxylate,
SCHEMBL1041983,
GIBVXUDPIGVGMR-UHFFFAOYSA-N,
MFCD12031849,
ZINC15014932,
AKOS000348671,
Methyl 1-(phenyl)cyclopentanecarboxylate,
AS-48752,
1-Phenylcyclopentanecarboxylic acid methyl ester,
1-phenyl-cyclopentanecarboxylic acid methyl ester,
Cyclopentanecarboxylic acid, 1-phenyl-, methyl ester,
CID11790325,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number