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735317-70-1 | 3-Isoxazolemethanol,4,5-dihydro-4-methyl-5-(1-methylethyl)-,(4S,5R)-(9CI)
CAS No: 735317-70-1 Catalog No: AG00FTF6 MDL No:
Product Description
Catalog Number:
AG00FTF6
Chemical Name:
3-Isoxazolemethanol,4,5-dihydro-4-methyl-5-(1-methylethyl)-,(4S,5R)-(9CI)
CAS Number:
735317-70-1
IUPAC Name:
[(4S,5R)-4-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C8H15NO2/c1-5(2)8-6(3)7(4-10)9-11-8/h5-6,8,10H,4H2,1-3H3/t6-,8+/m0/s1
InChI Key:
BIAAMKAPDRZIJY-POYBYMJQSA-N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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