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919513-00-1 | 5-Isoxazolemethanol, 3-(9-anthracenyl)-4,5-dihydro-
CAS No: 919513-00-1 Catalog No: AG006IGT MDL No:
Product Description
Catalog Number:
AG006IGT
Chemical Name:
5-Isoxazolemethanol, 3-(9-anthracenyl)-4,5-dihydro-
CAS Number:
919513-00-1
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
(3-anthracen-9-yl-4,5-dihydro-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C18H15NO2/c20-11-14-10-17(19-21-14)18-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)18/h1-9,14,20H,10-11H2
InChI Key:
IOKOECXXWBQGAB-UHFFFAOYSA-N
SMILES:
OCC1ON=C(C1)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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