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Home > Pyridines > 139645-23-1
139645-23-1 | 1,3-DIOXOLO[4,5-C]PYRIDINE-4-METHANOL
CAS No: 139645-23-1 Catalog No: AG001BFL MDL No:
Product Description
Catalog Number:
AG001BFL
Chemical Name:
1,3-DIOXOLO[4,5-C]PYRIDINE-4-METHANOL
CAS Number:
139645-23-1
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
[1,3]dioxolo[4,5-c]pyridin-4-ylmethanol
InChI:
InChI=1S/C7H7NO3/c9-3-5-7-6(1-2-8-5)10-4-11-7/h1-2,9H,3-4H2
InChI Key:
IKMSBEKLRNNBEM-UHFFFAOYSA-N
SMILES:
OCc1nccc2c1OCO2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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