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Home > Other Building Blocks > 88311-65-3
88311-65-3 | 1,3-Cyclohexanedione, 5-(2-hydroxy-4,6-dimethylphenyl)-2-(1-oxobutyl)-
CAS No: 88311-65-3 Catalog No: AG0048NG MDL No:
Product Description
Catalog Number:
AG0048NG
Chemical Name:
1,3-Cyclohexanedione, 5-(2-hydroxy-4,6-dimethylphenyl)-2-(1-oxobutyl)-
CAS Number:
88311-65-3
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
2-butanoyl-5-(2-hydroxy-4,6-dimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C18H22O4/c1-4-5-13(19)18-15(21)8-12(9-16(18)22)17-11(3)6-10(2)7-14(17)20/h6-7,12,18,20H,4-5,8-9H2,1-3H3
InChI Key:
ADLFMWYJMGAKCL-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1C(=O)CC(CC1=O)c1c(C)cc(cc1O)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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