Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-1-Benzopyran-3-carbonitrile |
EINECS | 604-604-1 |
CAS No. | 57543-66-5 | Density | 1.2 g/cm3 |
PSA | 33.02000 | LogP | 1.98598 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H7NO | Boiling Point | 305.8 °C at 760 mmHg |
Molecular Weight | 157.172 | Flash Point | 128.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chromenecarbonitrile;3-Cyanochromene;NSC 279236;2H-Chromene-3-carbonitrile; |
Article Data | 35 |
The CAS register number of 2H-1-Benzopyran-3-carbonitrile is 57543-66-5. It also can be called as 3-Cyanochromene and the IUPAC name about this chemical is 2H-chromene-3-carbonitrile. The molecular formula about this chemical is C10H7NO and the molecular weight is 157.17.
Physical properties about 2H-1-Benzopyran-3-carbonitrile are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.11; (5)ACD/BCF (pH 7.4): 54.11; (6)ACD/KOC (pH 5.5): 605.73; (7)ACD/KOC (pH 7.4): 605.73; (8)#H bond acceptors: 2; (9)Polar Surface Area: 33.02 Å2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 44.58 cm3; (12)Molar Volume: 129.9 cm3; (13)Polarizability: 17.67x10-24cm3; (14)Surface Tension: 50.4 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 128.9 °C; (17)Enthalpy of Vaporization: 54.63 kJ/mol; (18)Boiling Point: 305.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000801 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C\c2c(OC1)cccc2
(2)InChI: InChI=1/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
(3)InChIKey: NQOLOKKZYCSJRL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
(5)Std. InChIKey: NQOLOKKZYCSJRL-UHFFFAOYSA-N