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Home > Aldehydes > 143921-20-4
143921-20-4 | 1,4,7-Benzotrioxonin-8-carboxaldehyde, 2,3,5,6-tetrahydro-
CAS No: 143921-20-4 Catalog No: AG001ILD MDL No:
Product Description
Catalog Number:
AG001ILD
Chemical Name:
1,4,7-Benzotrioxonin-8-carboxaldehyde, 2,3,5,6-tetrahydro-
CAS Number:
143921-20-4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-8-carbaldehyde
InChI:
InChI=1S/C11H12O4/c12-8-9-2-1-3-10-11(9)15-7-5-13-4-6-14-10/h1-3,8H,4-7H2
InChI Key:
MQMYIBBEVHNTQO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1OCCOCCO2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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