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85553-97-5 | 1,4-Dioxocin-6-carboxaldehyde
CAS No: 85553-97-5 Catalog No: AG004UHH MDL No:MFCD24677282
Product Description
Catalog Number:
AG004UHH
Chemical Name:
1,4-Dioxocin-6-carboxaldehyde
CAS Number:
85553-97-5
Molecular Formula:
C7H6O3
Molecular Weight:
138.1207
MDL Number:
MFCD24677282
IUPAC Name:
1,4-dioxocine-6-carbaldehyde
InChI:
InChI=1S/C7H6O3/c8-5-7-1-2-9-3-4-10-6-7/h1-6H
InChI Key:
QDGNLJGBOMVNFY-UHFFFAOYSA-N
SMILES:
O=Cc1coccocc1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.122g/mol
Monoisotopic Mass:
138.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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