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842163-69-3 | 5-Isoxazolemethanol, 4,5-dihydro-5-phenyl-, (5R)-
CAS No: 842163-69-3 Catalog No: AG004Y79 MDL No:
Product Description
Catalog Number:
AG004Y79
Chemical Name:
5-Isoxazolemethanol, 4,5-dihydro-5-phenyl-, (5R)-
CAS Number:
842163-69-3
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
[(5R)-5-phenyl-4H-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C10H11NO2/c12-8-10(6-7-11-13-10)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2/t10-/m0/s1
InChI Key:
OADLGCREYJAEDI-JTQLQIEISA-N
SMILES:
OC[C@@]1(CC=NO1)c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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