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893729-87-8 | 5-(6-HYDROXY(PYRIDIN-3-YL))-FURAN-2-CARBOXYLIC ACID
CAS No: 893729-87-8 Catalog No: AG003YV1 MDL No:
Product Description
Catalog Number:
AG003YV1
Chemical Name:
5-(6-HYDROXY(PYRIDIN-3-YL))-FURAN-2-CARBOXYLIC ACID
CAS Number:
893729-87-8
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
5-(6-oxo-1H-pyridin-3-yl)furan-2-carboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-9-4-1-6(5-11-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChI Key:
ZYKXXPAFFUDUOI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cn1)c1ccc(o1)C(=O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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