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86552-03-6 | dimethyl 3,6-dimethyl-4,5-diphenyl-benzene-1,2-dicarboxylate
CAS No: 86552-03-6 Catalog No: AG004LVA MDL No:
Product Description
Catalog Number:
AG004LVA
Chemical Name:
dimethyl 3,6-dimethyl-4,5-diphenyl-benzene-1,2-dicarboxylate
CAS Number:
86552-03-6
Molecular Formula:
C24H22O4
Molecular Weight:
374.4291
IUPAC Name:
dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H22O4/c1-15-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)16(2)22(24(26)28-4)21(15)23(25)27-3/h5-14H,1-4H3
InChI Key:
QYFOMSSCSULOTH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C(=O)OC)c(C)c(c(c1C)c1ccccc1)c1ccccc1
NSC Number:
186957
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.436g/mol
Monoisotopic Mass:
374.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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