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119596-06-4 | 3-Isoxazolemethanol, alpha,5-dimethyl-, (S)- (9CI)
CAS No: 119596-06-4 Catalog No: AG009QSF MDL No:MFCD18818570
Product Description
Catalog Number:
AG009QSF
Chemical Name:
3-Isoxazolemethanol, alpha,5-dimethyl-, (S)- (9CI)
CAS Number:
119596-06-4
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD18818570
IUPAC Name:
(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol
InChI:
InChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3/t5-/m0/s1
InChI Key:
BRPQABWKQYZYQC-YFKPBYRVSA-N
SMILES:
Cc1onc(c1)[C@@H](O)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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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