Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 2-(cyanomethyl)-5-methoxy- |
EINECS | N/A |
CAS No. | 76254-25-6 | Density | 1.256 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO3 | Boiling Point | 387.9 °C at 760 mmHg |
Molecular Weight | 191.186 | Flash Point | 188.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 338229;2-(Cyanomethyl)-5-methoxybenzoic acid; |
Article Data | 4 |
The Benzoicacid, 2-(cyanomethyl)-5-methoxy- has the CAS registry number 76254-25-6. This chemical's molecular formula is C10H9NO3 and molecular weight is 191.18. What's more, its systematic name is 2-(Cyanomethyl)-5-methoxybenzoic acid.
Physical properties of Benzoicacid, 2-(cyanomethyl)-5-methoxy- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 59.32 Å2; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 49.32 cm3; (9)Molar Volume: 152.1 cm3; (10)Polarizability: 19.55×10-24 cm3; (11)Surface Tension: 53.2 dyne/cm; (12)Density: 1.256 g/cm3; (13)Flash Point: 188.4 °C; (14)Enthalpy of Vaporization: 67.19 kJ/mol; (15)Boiling Point: 387.9 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)CC#N)C(=O)O
(2)InChI: InChI=1S/C10H9NO3/c1-14-8-3-2-7(4-5-11)9(6-8)10(12)13/h2-3,6H,4H2,1H3,(H,12,13)
(3)InChIKey: JCGBCBBOMYVUEQ-UHFFFAOYSA-N