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876891-32-6 | 4H-Naphtho[1,2-d]-1,3-dioxin-4-one, 2-(2,2-dimethylpropyl)-
CAS No: 876891-32-6 Catalog No: AG004NSF MDL No:
Product Description
Catalog Number:
AG004NSF
Chemical Name:
4H-Naphtho[1,2-d]-1,3-dioxin-4-one, 2-(2,2-dimethylpropyl)-
CAS Number:
876891-32-6
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
2-(2,2-dimethylpropyl)benzo[h][1,3]benzodioxin-4-one
InChI:
InChI=1S/C17H18O3/c1-17(2,3)10-14-19-15-12-7-5-4-6-11(12)8-9-13(15)16(18)20-14/h4-9,14H,10H2,1-3H3
InChI Key:
AUJCNVFQIRAWCC-UHFFFAOYSA-N
SMILES:
O=C1OC(Oc2c1ccc1c2cccc1)CC(C)(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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