Methyl-2-phenylpropionate
General
Type : Propionate
Chemical_Nomenclature : methyl 2-phenylpropanoate
Canonical SMILES : CC(C1=CC=CC=C1)C(=O)OC
InChI : InChI=1S\/C10H12O2\/c1-8(10(11)12-2)9-6-4-3-5-7-9\/h3-8H,1-2H3 || InChI=1S\/C10H12O2\/c1-8(10(11)12-2)9-6-4-3-5-7-9\/h3-8H,1-2H3\/t8-\/m0\/s1 || InChI=1S\/C10H12O2\/c1-8(10(11)12-2)9-6-4-3-5-7-9\/h3-8H,1-2H3\/t8-\/m1\/s1
InChIKey : DZIQUZJSNSZOCH-UHFFFAOYSA-N || DZIQUZJSNSZOCH-QMMMGPOBSA-N || DZIQUZJSNSZOCH-MRVPVSSYSA-N
Other name(s) : Methyl hydratropate || R,S-2-Phenyl-propionicacidmethylester || UNII-MPL796NG2N || Methyl (2S)-2-phenylpropanoate || MPL796NG2N || (S)-methyl 2-phenylpropionate || SCHEMBL5537242 || ZINC37624047 || (R)-Methyl 2-phenylpropanoate || UNII-52BLN3X8LJ || 52BLN3X8LJ || (R)-methyl 2-phenylpropionate || SCHEMBL5544986 || ZINC34540245
MW : 164.2
Formula : C10H12O2
CAS_number : 31508-44-8
PubChem : 569653, 9815297, 10866667
UniChem : DZIQUZJSNSZOCH-UHFFFAOYSA-N, DZIQUZJSNSZOCH-QMMMGPOBSA-N, DZIQUZJSNSZOCH-MRVPVSSYSA-N
Target
Families : No family
References (1)
| Title : Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase - Cea-Rama_2021_Comput.Struct.Biotechnol.J_19_2307 |
| Author(s) : Cea-Rama I , Coscolin C , Katsonis P , Bargiela R , Golyshin PN , Lichtarge O , Ferrer M , Sanz-Aparicio J |
| Ref : Comput Struct Biotechnol J , 19 :2307 , 2021 |
| Abstract : |
| PubMedSearch : Cea-Rama_2021_Comput.Struct.Biotechnol.J_19_2307 |
| PubMedID: 33995922 |
| Gene_locus related to this paper: 9zzzz-a0a2k8jn75 |