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140118-66-7 | 4,4(5H)-Oxazoledimethanol, 2-(2-pyridinyl)-
CAS No: 140118-66-7 Catalog No: AG001C1A MDL No:
Product Description
Catalog Number:
AG001C1A
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2-(2-pyridinyl)-
CAS Number:
140118-66-7
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
[4-(hydroxymethyl)-2-pyridin-2-yl-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C10H12N2O3/c13-5-10(6-14)7-15-9(12-10)8-3-1-2-4-11-8/h1-4,13-14H,5-7H2
InChI Key:
NFXJWAREDOKXBK-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC(=N1)c1ccccn1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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