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1159251-58-7 | (5-methyl-3-(pyridin-4-yl)isoxazol-4-yl)methanol
CAS No: 1159251-58-7 Catalog No: AG00HD4E MDL No:MFCD19348058
Product Description
Catalog Number:
AG00HD4E
Chemical Name:
(5-methyl-3-(pyridin-4-yl)isoxazol-4-yl)methanol
CAS Number:
1159251-58-7
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD19348058
IUPAC Name:
(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methanol
InChI:
InChI=1S/C10H10N2O2/c1-7-9(6-13)10(12-14-7)8-2-4-11-5-3-8/h2-5,13H,6H2,1H3
InChI Key:
AQLRXBPPMKBVAL-UHFFFAOYSA-N
SMILES:
OCc1c(C)onc1c1ccncc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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