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70567-18-9 | 4-Methylphenyl 4-[(trans-4-propylcyclohexyl)carbonyloxy]benzoate
CAS No: 70567-18-9 Catalog No: AG005I16 MDL No:
Product Description
Catalog Number:
AG005I16
Chemical Name:
4-Methylphenyl 4-[(trans-4-propylcyclohexyl)carbonyloxy]benzoate
CAS Number:
70567-18-9
Molecular Formula:
C24H28O4
Molecular Weight:
380.4767
IUPAC Name:
(4-methylphenyl) 4-(4-propylcyclohexanecarbonyl)oxybenzoate
InChI:
InChI=1S/C24H28O4/c1-3-4-18-7-9-19(10-8-18)23(25)28-22-15-11-20(12-16-22)24(26)27-21-13-5-17(2)6-14-21/h5-6,11-16,18-19H,3-4,7-10H2,1-2H3
InChI Key:
XJRKJSJTVLFUBA-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.484g/mol
Monoisotopic Mass:
380.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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