200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 151600-50-9
151600-50-9 | Propanedioic acid, 2-[(1S)-3-oxocyclohexyl]-, 1,3-diethyl ester
CAS No: 151600-50-9 Catalog No: AG001NGC MDL No:
Product Description
Catalog Number:
AG001NGC
Chemical Name:
Propanedioic acid, 2-[(1S)-3-oxocyclohexyl]-, 1,3-diethyl ester
CAS Number:
151600-50-9
Molecular Formula:
C13H20O5
Molecular Weight:
256.2949
IUPAC Name:
diethyl 2-(3-oxocyclohexyl)propanedioate
InChI:
InChI=1S/C13H20O5/c1-3-17-12(15)11(13(16)18-4-2)9-6-5-7-10(14)8-9/h9,11H,3-8H2,1-2H3
InChI Key:
IKOAYBMYVQZXPV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C([C@H]1CCCC(=O)C1)C(=O)OCC
NSC Number:
246180
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.298g/mol
Monoisotopic Mass:
256.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| (-)-(1S,5R)-2-Oxabicyclo-[3.3.1]nonan-3-one. | Acta crystallographica. Section E, Structure reports online 20100501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.