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10431-96-6 | Oxazole, 4,5-dihydro-2-(2-naphthalenyl)-
CAS No: 10431-96-6 Catalog No: AG01FBRI MDL No:
Product Description
Catalog Number:
AG01FBRI
Chemical Name:
Oxazole, 4,5-dihydro-2-(2-naphthalenyl)-
CAS Number:
10431-96-6
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H11NO/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2
InChI Key:
JBPBWSKDBJRSAU-UHFFFAOYSA-N
SMILES:
C1CN=C(O1)c1ccc2c(c1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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