- 3-(3-(3,4-Dichlorophenyl)piperidin-3-yl)propan-1-ol
- 3-(3-(4-((4-BROMOPHENYL)METHOXY)-PHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-4-HYDROXY2H-1-BENZOPYRAN-2-ONE
- 3-(3-(4-(2-(4-BROMOPHENYL)ETHYL)PHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-4-HYDROXY2H-1-BENZOPYRAN-2-ONE
- 3-(3-(4-(2-(4-CHLOROPHENYL)ETHYL)-PHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-4-HYDROXY2H-1-BENZOPYRAN-2-ONE
- 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxy carbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil
- 3-(3-(Diisopropylamino)-1-phenylpropyl)-4-hydroxybenzaldehyde
- 3-(3,3-Dimethyl-2-Butanyl)-1,2-Oxazol-5-Amine
- 3-(3,3-DIPHENYLPROPYLAMINO)PROPYL-3′,4′,5′-TRIMETHOXYBENZOATE HYDROCHLORIDE
- 3-(3,4,5-Trimethoxyphenyl)propionic acid
- 3-(3,4-Dichlorophenyl)-2-propyn-1-ol
- 545445-10-13,3-Dichloro-1-(4-iodophenyl)piperidin-2-one
- 545445-40-75,6-dihydro-3-(4-morpholinyl)-2(1H)-Pyridinone
- 545445-44-15,6-Dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone
- 545-46-0Urs-12-ene-3,28-diol,(3b)-
- 54546-26-81,3-Dioxane,2-butyl-4,4,6-trimethyl-
- 545-47-1Lup-20(29)-en-3-ol, (3b)-
- 5454-78-4Cyclopentanecarboxylicacid, 2-methyl-
- 545-48-2Olean-12-ene-3,28-diol,(3b)-
- 5454-82-0Cyclobutanemethanamine
- 5454-83-1Methyl 5-bromovalerate
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
3-(3,4-Dihydroxy-phenyl)-propionaldehyde |
EINECS | N/A |
| CAS No. | 545442-98-6 | Density | 1.25 g/cm3 |
| PSA | 57.53000 | LogP | 1.22930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H10O3 | Boiling Point | 338.325 °C at 760 mmHg |
| Molecular Weight | 166.17 | Flash Point | 172.616 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(3,4-Dihydroxyphenyl)propanal; |
Article Data | 1 |
3-(3,4-Dihydroxy-phenyl)-propionaldehyde Specification
The chemical with CAS registry number of 545442-98-6 is named 3-(3,4-Dihydroxy-phenyl)-propionaldehyde. Its systematic name is 3-(3,4-Dihydroxyphenyl)propanal. In addition, the formula is C9H10O3 and the molecular weight is 166.17.
Physical properties about this chemical are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.391; (4)ACD/LogD (pH 7.4): 0.388; (5)ACD/BCF (pH 5.5): 1.168; (6)ACD/BCF (pH 7.4): 1.159; (7)ACD/KOC (pH 5.5): 38.885; (8)ACD/KOC (pH 7.4): 38.595; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.53Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.385 cm3; (15)Molar Volume: 132.936 cm3; (16)Polarizability: 17.596×10-24cm3; (17)Surface Tension: 55.329 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 172.616 °C; (20)Enthalpy of Vaporization: 60.471 kJ/mol; (21)Boiling Point: 338.325 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1cc(c(cc1CCC=O)O)O
2. InChI: InChI=1/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-6,11-12H,1-2H2
3. InChIKey: HVIBSLHISRRALT-UHFFFAOYAU
4. Std. InChI: InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-6,11-12H,1-2H2
5. Std. InChIKey: HVIBSLHISRRALT-UHFFFAOYSA-N
What can I do for you?
Get Best Price
