Bergapten

• CAS: 484-20-8
• Catalog Number: ACM484208
• Category: Organic & Printed Electronics
• Molecular Weight: 216.19
• Molecular Formula: C12H8O4
• Description: Grayish-white microcrystalline powder or yellow fluffy solid. (NTP, 1992);Solid
• Synonyms: 2-g)(1)benzopyran-7-one,4-methoxy-7h-furo(;4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one;4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one;4-Methoxy-7H-furo[3,2-g]chromen-7-one;4-Methoxy-furo[3,2-g]chromen-7-one;5-Methoxy-6,7-furanocoumarin;6-Hydroxy-4-methoxy-5-
• IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one
• SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
• InChI: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
• InChI Key: BGEBZHIAGXMEMV-UHFFFAOYSA-N
• Melting Point: 370 °F (sublimes) (NTP, 1992);188.0 °C;188 °C (sublimes);188°C
• Solubility: less than 1 mg/mL at 66° F (NTP, 1992);In water, 5 ug/mL;Practically insoluble in boiling water;Slightly soluble in glacial acetic acid, chloroform, benzene, warm phenol; soluble in absolute alcohol: 1 part in 60
• Color/Form: Needles from alcohol
• Complexity: 325
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions. - Carbon oxides;When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 207-604-5
• Exact Mass: 216.042259g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• LogP: 1.93 (LogP);log Kow = 2.0
• Monoisotopic Mass: 216.042259g/mol
• NSC Number: 755877;95437
• Other Experimental: Henry's Law constant = 4.0X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.06X10-10 cu cm/molecule-sec at 25 °C (est);Ozone reaction rate constant = 2.1X10-17 cu cm/mole-sec at 25 °C (est)
• Rotatable Bond Count: 1
• Stability: Stable under recommended storage conditions.
• UNII: 4FVK84C92X
• UN Number: 1759
• Vapor Pressure: 7.5X10-7 mm Hg at 25 °C (est)
• XLogP3: 2.3

Custom Q&A

What is the molecular formula of Bergapten?

The molecular formula of Bergapten is C12H8O4.

What is the molecular weight of Bergapten?

The molecular weight of Bergapten is 216.19 g/mol.

What is the IUPAC Name of Bergapten?

The IUPAC Name of Bergapten is 4-methoxyfuro[3,2-g]chromen-7-one.

What is the InChIKey of Bergapten?

The InChIKey of Bergapten is BGEBZHIAGXMEMV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Bergapten have?

Bergapten has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Bergapten have?

Bergapten has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does Bergapten have?

Bergapten has 1 rotatable bond count.

What is the exact mass of Bergapten?

The exact mass of Bergapten is 216.04225873 g/mol.

What is the CAS number of Bergapten?

The CAS number of Bergapten is 484-20-8.

What is the ChEBI ID of Bergapten?

The ChEBI ID of Bergapten is CHEMBL24171.