| 2D Structure | |
| CID | 998 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , TSHR |
| IUPAC Name | 2-phenylacetaldehyde |
| InChI | InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChI Key | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CC=O |
| Isomeric SMILES | C1=CC=C(C=C1)CC=O |
| Molecular Formula | C8H8O |
| Molecular Weight | 120.15 |
| synonyms | ['phenylacetaldehyde', '2-phenylacetaldehyde', '122-78-1', 'Hyacinthin', 'Phenylethanal', 'alpha-Tolualdehyde', '2-Phenylethanal', 'Phenylacetic aldehyde', 'Oxophenylethane', 'alpha-Toluic aldehyde', 'Acetaldehyde, phenyl-', 'Benzylcarboxaldehyde', '1-Oxo-2-phenylethane', 'Phenacetaldehyde', 'Benzacetaldehyde', 'Phenylacetaldehyde (natural)', 'alpha-Phenylacetaldehyde', 'FEMA No. 2974', 'UNII-U8J5PLW9MR', 'NSC 406309', 'U8J5PLW9MR', 'EINECS 204-574-5', 'DTXSID3021483', 'CHEBI:16424', 'AI3-02175', 'NSC-406309', 'DTXCID501483', 'FEMA NO. 2874', '204-574-5', 'Benzeneacetaldehyde', 'phenyl acetaldehyde', 'phenyl-Acetaldehyde', '.alpha.-Tolualdehyde', 'Benzenacetaldehyde', '.alpha.-Toluic aldehyde', 'alpha-Tolyaldehyde', 'Acetaldehyde, phenyl- (8CI)', 'a-Tolyaldehyde', 'CAS-122-78-1', 'benzeneethanal', 'a-Tolualdehyde', '?-Tolualdehyde', '2-phenylethanone', 'a-toluic aldehyde', 'Phenylacetoaldehyde', 'benzene acetaldehyde', 'a-Phenylacetaldehyde', 'MFCD00006993', '2-phenyl-acetaldehyde', 'bmse000427', 'NCIOpen2_003602', 'Phenylacetaldehyde, >=90%', 'SCHEMBL18972', 'PHENYLACETALDEHYDE [MI]', 'PHENYLACETALDEHYDE [FCC]', 'CHEMBL1233464', 'PHENYLACETALDEHYDE [FHFI]', 'STR00412', 'Tox21_201582', 'Tox21_302945', 'NSC406309', 's9357', 'AKOS000119316', 'CCG-266073', 'CS-W011205', 'DB02178', 'FP58018', 'HY-W010489', 'Phenylacetaldehyde, >=95%, FCC, FG', 'NCGC00249076-01', 'NCGC00256522-01', 'NCGC00259131-01', 'DB-041686', 'NS00013128', 'P0119', 'EN300-18996', 'C00601', 'D78329', '10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1', 'A804962', 'Q424998', 'doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1', 'F2190-0653', 'Z104472146', 'D60A2590-0A65-4BA8-A05B-D8423408535C', 'InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H'] |
From Pubchem