| CAS Number | 1119807-15-6 |
| Catalog Number | AG01A2SZ |
| Chemical Name | rac-(1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acid, trans |
| IUPAC Name | (1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c12-6-7-1-3-8(4-2-7)9-5-10(9)11(13)14/h1-4,9-10H,5H2,(H,13,14)/t9-,10+/m0/s1 |
| InChI Key | FTHLUIBYGIBEIZ-VHSXEESVSA-N |
| MDL Number | MFCD30704374 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | N#CC1=CC=C(C=C1)[C@H]2[C@H](C(O)=O)C2 |
| Synonyms | SCHEMBL2239420,
FTHLUIBYGIBEIZ-VHSXEESVSA-N,
2059912-24-0,
ZINC37380802,
AKOS034813948,
EN300-118826,
A1-02944,
trans 2-(4-cyanophenyl)cyclopropane carboxylic acid,
Z2510258274,
(1R,2R)-2-(4-cyanophenyl)cyclopropane-1-carboxylic acid,
Cyclopropanecarboxylicacid,2-(4-cyanophenyl)-,(1R,2R)-rel-,
1119807-15-6,
2-(4-cyanophenyl)cyclopropane-1-carboxylic acid,
1157138-40-3,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number