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19788-36-4 | 4-Isoxazolemethanol, 3,5-dimethyl-
CAS No: 19788-36-4 Catalog No: AG002B4V MDL No:MFCD00464226
Product Description
Catalog Number:
AG002B4V
Chemical Name:
4-Isoxazolemethanol, 3,5-dimethyl-
CAS Number:
19788-36-4
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00464226
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)methanol
InChI:
InChI=1S/C6H9NO2/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3
InChI Key:
JISPGFYJPXGNBY-UHFFFAOYSA-N
SMILES:
OCc1c(C)noc1C
NSC Number:
151752
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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