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198974-18-4 | 2,4-Hexadiene-1,6-dione, 3,4-dihydroxy-1,6-bis(4-methylphenyl)-
CAS No: 198974-18-4 Catalog No: AG002BTW MDL No:
Product Description
Catalog Number:
AG002BTW
Chemical Name:
2,4-Hexadiene-1,6-dione, 3,4-dihydroxy-1,6-bis(4-methylphenyl)-
CAS Number:
198974-18-4
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
1,6-dihydroxy-1,6-bis(4-methylphenyl)hexa-1,5-diene-3,4-dione
InChI:
InChI=1S/C20H18O4/c1-13-3-7-15(8-4-13)17(21)11-19(23)20(24)12-18(22)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
InChI Key:
KWTVOUUUBMHLSR-UHFFFAOYSA-N
SMILES:
OC(=CC(=O)c1ccc(cc1)C)C(=CC(=O)c1ccc(cc1)C)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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