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87787-59-5 | 1,4-Benzodioxin-6-carboxaldehyde
CAS No: 87787-59-5 Catalog No: AG004I88 MDL No:
Product Description
Catalog Number:
AG004I88
Chemical Name:
1,4-Benzodioxin-6-carboxaldehyde
CAS Number:
87787-59-5
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
IUPAC Name:
1,4-benzodioxine-6-carbaldehyde
InChI:
InChI=1S/C9H6O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-6H
InChI Key:
CPXFEZVALJZKDT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OC=CO2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.144g/mol
Monoisotopic Mass:
162.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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