200,000+ products from a single source!
sales@angenechem.com
116206-49-6 | 1,2-Cyclopentanedicarboxylic acid, 1-(7-octen-1-yl)-5-oxo-, 1,2-dimethyl ester
CAS No: 116206-49-6 Catalog No: AG000BXI MDL No:
Product Description
Catalog Number:
AG000BXI
Chemical Name:
1,2-Cyclopentanedicarboxylic acid, 1-(7-octen-1-yl)-5-oxo-, 1,2-dimethyl ester
CAS Number:
116206-49-6
Molecular Formula:
C17H26O5
Molecular Weight:
310.3853
IUPAC Name:
dimethyl 1-oct-7-enyl-5-oxocyclopentane-1,2-dicarboxylate
InChI:
InChI=1S/C17H26O5/c1-4-5-6-7-8-9-12-17(16(20)22-3)13(15(19)21-2)10-11-14(17)18/h4,13H,1,5-12H2,2-3H3
InChI Key:
KUDFVQNEPFQWBK-UHFFFAOYSA-N
SMILES:
C=CCCCCCCC1(C(=O)OC)C(=O)CCC1C(=O)OC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.39g/mol
Monoisotopic Mass:
310.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.