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Home > Aldehydes > 831222-93-6
831222-93-6 | 6-Benzofurancarboxaldehyde, 4-methoxy-
CAS No: 831222-93-6 Catalog No: AG008JOJ MDL No:
Product Description
Catalog Number:
AG008JOJ
Chemical Name:
6-Benzofurancarboxaldehyde, 4-methoxy-
CAS Number:
831222-93-6
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
4-methoxy-1-benzofuran-6-carbaldehyde
InChI:
InChI=1S/C10H8O3/c1-12-9-4-7(6-11)5-10-8(9)2-3-13-10/h2-6H,1H3
InChI Key:
DMLSDRVVSPRBAJ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc2c1cco2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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