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385802-40-4 | 2-methoxy-5-(pyridin-4-yl)benzaldehyde
CAS No: 385802-40-4 Catalog No: AG01AF5T MDL No:MFCD12785843
Product Description
Catalog Number:
AG01AF5T
Chemical Name:
2-methoxy-5-(pyridin-4-yl)benzaldehyde
CAS Number:
385802-40-4
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD12785843
IUPAC Name:
2-methoxy-5-pyridin-4-ylbenzaldehyde
InChI:
InChI=1S/C13H11NO2/c1-16-13-3-2-11(8-12(13)9-15)10-4-6-14-7-5-10/h2-9H,1H3
InChI Key:
OOTSXFWEFCBQQP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)c1ccncc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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