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86518-17-4 | 4-oxo-4H,5H-furo[3,2-c]pyridine-2-carbaldehyde
CAS No: 86518-17-4 Catalog No: AG01C04W MDL No:MFCD15144062
Product Description
Catalog Number:
AG01C04W
Chemical Name:
4-oxo-4H,5H-furo[3,2-c]pyridine-2-carbaldehyde
CAS Number:
86518-17-4
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD15144062
IUPAC Name:
4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde
InChI:
InChI=1S/C8H5NO3/c10-4-5-3-6-7(12-5)1-2-9-8(6)11/h1-4H,(H,9,11)
InChI Key:
KJGUFTKAHLKJTJ-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(c1)c(=O)[nH]cc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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