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94321-29-6 | Oxazole, 4,5-dihydro-2-(2-methoxy-1-naphthalenyl)-4,4-dimethyl-
CAS No: 94321-29-6 Catalog No: AG00H8G9 MDL No:
Product Description
Catalog Number:
AG00H8G9
Chemical Name:
Oxazole, 4,5-dihydro-2-(2-methoxy-1-naphthalenyl)-4,4-dimethyl-
CAS Number:
94321-29-6
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
2-(2-methoxynaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C16H17NO2/c1-16(2)10-19-15(17-16)14-12-7-5-4-6-11(12)8-9-13(14)18-3/h4-9H,10H2,1-3H3
InChI Key:
LPTAWCRECCXSAJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C1=NC(CO1)(C)C)cccc2
NSC Number:
644303
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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