3-Phenylbenzaldehyde
PubChem CID: 121053
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| Compound Synonyms | 3-Phenylbenzaldehyde, 1204-60-0, [1,1'-biphenyl]-3-carbaldehyde, Biphenyl-3-carbaldehyde, BIPHENYL-3-CARBOXALDEHYDE, 3-Difenilaldeide, 3-Biphenyl carboxaldehyde, 3-Difenilaldeide [Italian], 3-biphenylcarboxaldehyde, 3-FORMYLBIPHENYL, CCRIS 3164, (1,1'-Biphenyl)-3-carboxaldehyde, 1,1'-biphenyl-3-carbaldehyde, 6NCQ7DH7HK, MFCD01740432, BRN 2435839, [1,1'-BIPHENYL]-3-CARBOXALDEHYDE, DTXSID70152848, 4-07-00-01388 (Beilstein Handbook Reference), 3-Phenyl benzaldehyde, 3-phenyl-benzaldehyde, 3-(Phenyl)benzaldehyde, 3-Biphenylcarboxaldehyde (6CI,7CI,8CI), UNII-6NCQ7DH7HK, SCHEMBL97618, CHEMBL125657, DTXCID3075339, Biphenyl-3-carboxaldehyde, 96%, KFKSIUOALVIACE-UHFFFAOYSA-N, AKOS000124601, AB09890, PS-8525, SY004293, DB-041557, B4186, CS-0128849, EN300-50981, A804511, F1371-0199, Z363993468 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | KFKSIUOALVIACE-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (1,1'-Biphenyl)-3-carboxaldehyde, 3-Biphenyl carboxaldehyde, 3-Biphenylcarboxaldehyde (6CI,7CI,8CI), 3-Difenilaldeide, 3-Phenylbenzaldehyde |
| Heavy Atom Count | 14.0 |
| Compound Name | 3-Phenylbenzaldehyde |
| Description | 3-phenyl benzaldehyde belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. 3-phenyl benzaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-phenyl benzaldehyde can be found in ginger, which makes 3-phenyl benzaldehyde a potential biomarker for the consumption of this food product. |
| Exact Mass | 182.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.073 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylbenzaldehyde |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H10O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=CC=CC(=C2)C=O |
| Xlogp | 3.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H10O |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all