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Home > Aldehydes > 113326-44-6
113326-44-6 | 1,3-Benzodioxole-5-carboxaldehyde, 4-hydroxy-7-methoxy-
CAS No: 113326-44-6 Catalog No: AG007SLT MDL No:
Product Description
Catalog Number:
AG007SLT
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 4-hydroxy-7-methoxy-
CAS Number:
113326-44-6
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
IUPAC Name:
4-hydroxy-7-methoxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C9H8O5/c1-12-6-2-5(3-10)7(11)9-8(6)13-4-14-9/h2-3,11H,4H2,1H3
InChI Key:
MMAVSDYXLXFDNG-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c2c1OCO2)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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