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164931-75-3 | Propanedioic acid, 2-[(1R)-3-oxocyclohexyl]-, 1,3-bis(phenylmethyl) ester
CAS No: 164931-75-3 Catalog No: AG001V5P MDL No:
Product Description
Catalog Number:
AG001V5P
Chemical Name:
Propanedioic acid, 2-[(1R)-3-oxocyclohexyl]-, 1,3-bis(phenylmethyl) ester
CAS Number:
164931-75-3
Molecular Formula:
C23H24O5
Molecular Weight:
380.4337
IUPAC Name:
dibenzyl 2-[(1R)-3-oxocyclohexyl]propanedioate
InChI:
InChI=1S/C23H24O5/c24-20-13-7-12-19(14-20)21(22(25)27-15-17-8-3-1-4-9-17)23(26)28-16-18-10-5-2-6-11-18/h1-6,8-11,19,21H,7,12-16H2/t19-/m1/s1
InChI Key:
JBDPMSUIIDZEPI-LJQANCHMSA-N
SMILES:
O=C1CCC[C@H](C1)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
380.162g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.44g/mol
Monoisotopic Mass:
380.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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