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116903-92-5 | 4H-1-Benzopyran-4-one, 2-[2-(2-furanyl)ethenyl]-
CAS No: 116903-92-5 Catalog No: AG000DCO MDL No:
Product Description
Catalog Number:
AG000DCO
Chemical Name:
4H-1-Benzopyran-4-one, 2-[2-(2-furanyl)ethenyl]-
CAS Number:
116903-92-5
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
IUPAC Name:
2-[2-(furan-2-yl)ethenyl]chromen-4-one
InChI:
InChI=1S/C15H10O3/c16-14-10-12(8-7-11-4-3-9-17-11)18-15-6-2-1-5-13(14)15/h1-10H
InChI Key:
WVSMOAULVHHPAA-UHFFFAOYSA-N
SMILES:
O=c1cc(C=Cc2ccco2)oc2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.242g/mol
Monoisotopic Mass:
238.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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