Molecule structure of 5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one, 7-methyl plus ultraviolet A radiation (CAS NO.85878-63-3):
Molecular Weight: 251.23686 g/mol
Molecular Formula: C15H9NO3
Density: 1.395 g/cm3
Boiling Point: 457.1 °C at 760 mmHg
Flash Point: 230.2 °C
Index of Refraction: 1.687
Molar Refractivity: 68.58 cm3
Molar Volume: 180 cm3
Polarizability: 27.19×10-24 cm3
Surface Tension: 61.3 dyne/cm
Enthalpy of Vaporization: 71.72 kJ/mol
Vapour Pressure: 1.53E-08 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 4
Exact Mass: 251.058243
MonoIsotopic Mass: 251.058243
Topological Polar Surface Area: 52.3
Heavy Atom Count: 19
Complexity: 386
Canonical SMILES: CC1=C2C(=CC3=C1OC(=O)C4=C3C=CN=C4)C=CO2
InChI: InChI=1S/C15H9NO3/c1-8-13-9(3-5-18-13)6-11-10-2-4-16-7-12(10)15(17)19-14(8)11/h2-7H,1H3
InChIKey: HUAHUHGFYQDAJK-UHFFFAOYSA-N
Classification Code of 5H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one, 7-methyl plus ultraviolet A radiation (CAS NO.85878-63-3): 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, 7-methyl plus ultraviolet A radiation (CAS NO.85878-63-3) is also named as Pyrido(3,4-c)-7-methylpsoralen ; 7-Methylpyrido(3,4-c)psoralen plus ultraviolet A radiation ; BRN 5065154 ; NSC 376770 .
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