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876895-73-7 | 4H-Naphtho[1,2-d]-1,3-dioxin-4-one, 2-(4-methylphenyl)-
CAS No: 876895-73-7 Catalog No: AG004NSD MDL No:
Product Description
Catalog Number:
AG004NSD
Chemical Name:
4H-Naphtho[1,2-d]-1,3-dioxin-4-one, 2-(4-methylphenyl)-
CAS Number:
876895-73-7
Molecular Formula:
C19H14O3
Molecular Weight:
290.3127
IUPAC Name:
2-(4-methylphenyl)benzo[h][1,3]benzodioxin-4-one
InChI:
InChI=1S/C19H14O3/c1-12-6-8-14(9-7-12)19-21-17-15-5-3-2-4-13(15)10-11-16(17)18(20)22-19/h2-11,19H,1H3
InChI Key:
AVEODBBKEZTOCB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1OC(=O)c2c(O1)c1ccccc1cc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.318g/mol
Monoisotopic Mass:
290.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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