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189090-62-8 | Naphth[2,1-d]oxazole, 5-methoxy-4-(3-methyl-2-buten-1-yl)-
CAS No: 189090-62-8 Catalog No: AG002HUF MDL No:
Product Description
Catalog Number:
AG002HUF
Chemical Name:
Naphth[2,1-d]oxazole, 5-methoxy-4-(3-methyl-2-buten-1-yl)-
CAS Number:
189090-62-8
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
5-methoxy-4-(3-methylbut-2-enyl)benzo[g][1,3]benzoxazole
InChI:
InChI=1S/C17H17NO2/c1-11(2)8-9-14-15-17(20-10-18-15)13-7-5-4-6-12(13)16(14)19-3/h4-8,10H,9H2,1-3H3
InChI Key:
KALPDXYKIXPRBB-UHFFFAOYSA-N
SMILES:
COc1c(CC=C(C)C)c2ncoc2c2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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