1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-


Chemical Name: 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-
CAS Number: 29668-44-8
Product Number: AG002Z1A(AGN-PC-0JOKDH)
Synonyms:
MDL No: MFCD00010092
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Properties
MP:
50-52 °C(lit.)
BP:
221.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5380 (estimate)
Solubility:
Solubility in methanol is almost transparent.
Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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