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119897-91-5 | 5-Isoxazolemethanol, 3-ethyl-4,5-dihydro-, (5R)-
CAS No: 119897-91-5 Catalog No: AG000PTU MDL No:
Product Description
Catalog Number:
AG000PTU
Chemical Name:
5-Isoxazolemethanol, 3-ethyl-4,5-dihydro-, (5R)-
CAS Number:
119897-91-5
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C6H11NO2/c1-2-5-3-6(4-8)9-7-5/h6,8H,2-4H2,1H3/t6-/m1/s1
InChI Key:
QJBMAARIDURDFB-ZCFIWIBFSA-N
SMILES:
OC[C@@H]1ON=C(C1)CC
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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