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199929-82-3 | 1,4-Naphthalenedione, 2-hydroxy-3-(2-phenylbutyl)-
CAS No: 199929-82-3 Catalog No: AG002CGB MDL No:
Product Description
Catalog Number:
AG002CGB
Chemical Name:
1,4-Naphthalenedione, 2-hydroxy-3-(2-phenylbutyl)-
CAS Number:
199929-82-3
Molecular Formula:
C20H18O3
Molecular Weight:
306.3551
IUPAC Name:
4-hydroxy-3-(2-phenylbutyl)naphthalene-1,2-dione
InChI:
InChI=1S/C20H18O3/c1-2-13(14-8-4-3-5-9-14)12-17-18(21)15-10-6-7-11-16(15)19(22)20(17)23/h3-11,13,21H,2,12H2,1H3
InChI Key:
ARSROHSLBSKZFZ-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)CC1=C(O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.361g/mol
Monoisotopic Mass:
306.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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