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149760-14-5 | L-Proline, 4-cyclohexyl-1-(1,3-dioxopentyl)-, trans- (9CI)
CAS No: 149760-14-5 Catalog No: AG001LZO MDL No:
Product Description
Catalog Number:
AG001LZO
Chemical Name:
L-Proline, 4-cyclohexyl-1-(1,3-dioxopentyl)-, trans- (9CI)
CAS Number:
149760-14-5
Molecular Formula:
C16H25NO4
Molecular Weight:
295.3740
IUPAC Name:
3-[3,4-dimethyl-1-[(E)-3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol
InChI:
InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+
InChI Key:
FJFLDQXXCJUUBR-JXMROGBWSA-N
SMILES:
CCC(=O)CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
335.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.491g/mol
Monoisotopic Mass:
335.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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