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83467-34-9 | 2-(3,5-Dimethylisoxazol-4-yl);ethanol
CAS No: 83467-34-9 Catalog No: AG0053ZG MDL No:MFCD00459761
Product Description
Catalog Number:
AG0053ZG
Chemical Name:
2-(3,5-Dimethylisoxazol-4-yl);ethanol
CAS Number:
83467-34-9
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD00459761
IUPAC Name:
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol
InChI:
InChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3
InChI Key:
QVSACOUKYXVIGR-UHFFFAOYSA-N
SMILES:
OCCc1c(C)noc1C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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