Products Categories
| CAS No.: | 841296-15-9 |
|---|---|
| Name: | 4-Amino-3-formyl-benzoic acid methyl ester |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9NO3 |
| Molecular Weight: | 179.175 |
| Synonyms: | methyl 4-amino-3-formyl-benzoate;4-Amino-3-formyl-benzoic acid methyl ester; |
| Density: | 1.268 g/cm3 |
| Melting Point: | 122-124 °C |
| Boiling Point: | 374.203 °C at 760 mmHg |
| Flash Point: | 216.807 °C |
| PSA: | 69.39000 |
| LogP: | 1.44910 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- Total:23 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzoic acid,4-amino-3-formyl-, methyl ester, with the CAS registry number 841296-15-9, has the systematic name of methyl 4-amino-3-formyl-benzoate. It belongs to the product category of Pharmaceutical intermediate. And the molecular formula of the chemical is C9H9NO3.
The characteristics of Benzoic acid,4-amino-3-formyl-, methyl ester are as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.578; (4)ACD/LogD (pH 7.4): 1.578; (5)ACD/BCF (pH 5.5): 9.313; (6)ACD/BCF (pH 7.4): 9.313; (7)ACD/KOC (pH 5.5): 171.911; (8)ACD/KOC (pH 7.4): 171.911; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.39 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 49.015 cm3; (15)Molar Volume: 141.272 cm3; (16)Polarizability: 19.431×10-24cm3; (17)Surface Tension: 54.03 dyne/cm; (18)Density: 1.268 g/cm3; (19)Flash Point: 216.807 °C; (20)Enthalpy of Vaporization: 62.156 kJ/mol; (21)Boiling Point: 374.203 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)c1ccc(c(c1)C=O)N
(2)InChI: InChI=1/C9H9NO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,10H2,1H3
(3)InChIKey: VNDSSJJSVMYZKF-UHFFFAOYAP