| CAS Number | 40641-92-7 |
| Catalog Number | AG00C6L4(AGN-PC-0WCYAY) |
| Chemical Name | Ethyl 2-(4-cyclopropylphenyl)acetate |
| IUPAC Name | ethyl 2-(4-cyclopropylphenyl)acetate |
| InChI | InChI=1S/C13H16O2/c1-2-15-13(14)9-10-3-5-11(6-4-10)12-7-8-12/h3-6,12H,2,7-9H2,1H3 |
| InChI Key | AEVGEGQUYRLIED-UHFFFAOYSA-N |
| MDL Number | MFCD23702110 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | O=C(OCC)CC1=CC=C(C2CC2)C=C1 |
| Synonyms | Ethyl 2-(4-cyclopropylphenyl)acetate,
40641-92-7,
SCHEMBL1713575,
Ethyl 4-cyclopropyl-phenylacetate,
AEVGEGQUYRLIED-UHFFFAOYSA-N,
CS-D0449,
MFCD23702110,
ZINC87493579,
AKOS027254513,
AK204968,
AS-39910,
DA-06074,
FT-0710324,
Y6220,
C13H16O2,
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| Complexity | 213 |
| 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 | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number