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Home > Other Building Blocks > 78364-06-4
78364-06-4 | 1H-2-Benzopyran-1,3(4H)-dione,4-(ethoxymethylene)-
CAS No: 78364-06-4 Catalog No: AG005BEY MDL No:MFCD03964622
Product Description
Catalog Number:
AG005BEY
Chemical Name:
1H-2-Benzopyran-1,3(4H)-dione,4-(ethoxymethylene)-
CAS Number:
78364-06-4
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD03964622
IUPAC Name:
(4E)-4-(ethoxymethylidene)isochromene-1,3-dione
InChI:
InChI=1S/C12H10O4/c1-2-15-7-10-8-5-3-4-6-9(8)11(13)16-12(10)14/h3-7H,2H2,1H3/b10-7+
InChI Key:
DVHWPERWSCRNCH-JXMROGBWSA-N
SMILES:
CCOC=C1C(=O)OC(=O)c2c1cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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