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Home > Aldehydes > 169836-21-9
169836-21-9 | 1,4-BENZODIOXINE-2-CARBALDEHYDE
CAS No: 169836-21-9 Catalog No: AG01DYU6 MDL No:MFCD06804473
Product Description
Catalog Number:
AG01DYU6
Chemical Name:
1,4-BENZODIOXINE-2-CARBALDEHYDE
CAS Number:
169836-21-9
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
MDL Number:
MFCD06804473
IUPAC Name:
1,4-benzodioxine-3-carbaldehyde
InChI:
InChI=1S/C9H6O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-6H
InChI Key:
IUIIXCRKXKRQTK-UHFFFAOYSA-N
SMILES:
O=CC1=COc2c(O1)cccc2
Properties
Complexity:
210
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:
1.3
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