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1569-94-4 | 5-Isoxazolemethanol, 4,5-dihydro-3-phenyl-
CAS No: 1569-94-4 Catalog No: AG001P2J MDL No:
Product Description
Catalog Number:
AG001P2J
Chemical Name:
5-Isoxazolemethanol, 4,5-dihydro-3-phenyl-
CAS Number:
1569-94-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChI Key:
GXUGWAXJXGJRAH-UHFFFAOYSA-N
SMILES:
OCC1ON=C(C1)c1ccccc1
NSC Number:
600409
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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