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Home > Other Heterocycles > 14782-54-8
14782-54-8 | 3,3'-Spirobi[3H-2-benzopyran]-1,1'(4H,4'H)-dione
CAS No: 14782-54-8 Catalog No: AG001F8Y MDL No:
Product Description
Catalog Number:
AG001F8Y
Chemical Name:
3,3'-Spirobi[3H-2-benzopyran]-1,1'(4H,4'H)-dione
CAS Number:
14782-54-8
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
3,3'-spirobi[4H-isochromene]-1,1'-dione
InChI:
InChI=1S/C17H12O4/c18-15-13-7-3-1-5-11(13)9-17(20-15)10-12-6-2-4-8-14(12)16(19)21-17/h1-8H,9-10H2
InChI Key:
AWOKBUFIGFXXOC-UHFFFAOYSA-N
SMILES:
O=C1OC2(OC(=O)c3c(C2)cccc3)Cc2c1cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.279g/mol
Monoisotopic Mass:
280.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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