CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
CAS: 65241-91-0
名称: 4-(4-methylphenyl)-1,2-diphenylbutane-1,4-dione
SMILES: CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C23H20O2
Molecular weight
328.41
Exact mass
328.1463
XLogP
5.23
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
100.08

Supplementary Information

InChIKey: HHMFZRAKYRLTQI-UHFFFAOYSA-N
同義語
4-(4-methylphenyl)-1,2-diphenylbutane-1,4-dione65241-91-0DTXSID60306398RefChem:288152DTXCID90257526NSC176055SCHEMBL11521612HHMFZRAKYRLTQI-UHFFFAOYSA-NNSC-1760551,2-diphenyl-4-p-tolylbutane-1,4-dioneDS-0084091,4-Butanedione,4-(4-methylphenyl)-1,2-diphenyl-
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