Product Name: 4-Hydroxymethyl-4',5'-benzopsoralen (CAS NO.123577-49-1)
Molecular Formula: C16H10O4
Molecular Weight: 266.26g/mol
Mol File: 123577-49-1.mol
Boiling point: 534.1 °C at 760 mmHg
Flash Point: 276.8 °C
Density: 1.441 g/cm3
Surface Tension: 64.8 dyne/cm
Enthalpy of Vaporization: 85.28 kJ/mol
Vapour Pressure: 3.09E-12 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Hydroxymethyl-4',5'-benzopsoralen (CAS NO.123577-49-1):
IUPAC Name: 4-(Hydroxymethyl)-[1]benzofuro[3,2-g]chromen-2-one
Canonical SMILES: C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)OC(=O)C=C4CO
InChI: InChI=1S/C16H10O4/c17-8-9-5-16(18)20-14-7-15-12(6-11(9)14)10-3-1-2-4-13(10)19-15/h1-7,17H,8H2
InChIKey: DCXCMYXDFTYKIQ-UHFFFAOYSA-N
1. | dnd-ham-ovr 5 mg/L | MUREAV Mutation Research. 311 (1994),277. | ||
2. | msc-ham-lng 1 mg/L | MUREAV Mutation Research. 311 (1994),277. |
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
4-Hydroxymethyl-4',5'-benzopsoralen , its CAS NO. is 123577-49-1, the synonyms are 4-(Hydroxymethyl)-2H-benzofuro(3,2-g)-1-benzopyran-2-one ; 2H-Benzofuro(3,2-g)-1-benzopyran-2-one, 4-(hydroxymethyl)- .
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