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16851-02-8 | Acetaldehyde, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS No: 16851-02-8 Catalog No: AG001Y3Y MDL No:
Product Description
Catalog Number:
AG001Y3Y
Chemical Name:
Acetaldehyde, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS Number:
16851-02-8
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
2-(2-oxochromen-7-yl)oxyacetaldehyde
InChI:
InChI=1S/C11H8O4/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-5,7H,6H2
InChI Key:
DBZJBJFCDKHGBJ-UHFFFAOYSA-N
SMILES:
O=CCOc1ccc2c(c1)oc(=O)cc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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