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Home > Aldehydes > 185406-91-1
185406-91-1 | 4-Benzofurancarboxaldehyde, 7-methoxy-2-(2-pyridinyl)-
CAS No: 185406-91-1 Catalog No: AG0077EV MDL No:
Product Description
Catalog Number:
AG0077EV
Chemical Name:
4-Benzofurancarboxaldehyde, 7-methoxy-2-(2-pyridinyl)-
CAS Number:
185406-91-1
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
7-methoxy-2-pyridin-2-yl-1-benzofuran-4-carbaldehyde
InChI:
InChI=1S/C15H11NO3/c1-18-13-6-5-10(9-17)11-8-14(19-15(11)13)12-4-2-3-7-16-12/h2-9H,1H3
InChI Key:
ZUMQCOVTRGFXAU-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1oc(c2)c1ccccn1)C=O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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