Molecule structure of 5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one plus ultraviolet A radiation (CAS NO.85878-62-2):
Molecular Weight: 237.21028 g/mol
Molecular Formula: C14H7NO3
Density: 1.448 g/cm3
Boiling Point: 448.1 °C at 760 mmHg
Flash Point: 224.8 °C
Index of Refraction: 1.706
Molar Refractivity: 63.76 cm3
Molar Volume: 163.7 cm3
Polarizability: 25.27×10-24 cm3
Surface Tension: 65.3 dyne/cm
Enthalpy of Vaporization: 70.66 kJ/mol
Vapour Pressure: 3.18E-08 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Acceptor: 4
Exact Mass: 237.042593
MonoIsotopic Mass: 237.042593
Topological Polar Surface Area: 52.3
Heavy Atom Count: 18
Complexity: 359
Canonical SMILES: C1=CN=CC2=C1C3=C(C=C4C(=C3)C=CO4)OC2=O
InChI: InChI=1S/C14H7NO3/c16-14-11-7-15-3-1-9(11)10-5-8-2-4-17-12(8)6-13(10)18-14/h1-7H
InChIKey: PMLPQOIOSQFFPW-UHFFFAOYSA-N
Classification Code of 5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one plus ultraviolet A radiation (CAS NO.85878-62-2): Tumor data
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 40 (1986),p. 349.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 40 (1986),p. 349.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Questionable carcinogen. When heated to decomposition it emits toxic vapors of NOx.
5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one plus ultraviolet A radiation (CAS NO.85878-62-2) is also named as BRN 5046981 ; Pyrido(3,4-c)psoralen ; Pyrido(3,4-c)psoralen plus ultraviolet A radiation ; 5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one, thymidylyl-(5'-3')-2'-deoxy-, (17alpha,20E)- .
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