200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100853-02-9
100853-02-9 | 1-Cyclohexene-1-hexanoic acid, 6-oxo-, methyl ester
CAS No: 100853-02-9 Catalog No: AG00030H MDL No:
Product Description
Catalog Number:
AG00030H
Chemical Name:
1-Cyclohexene-1-hexanoic acid, 6-oxo-, methyl ester
CAS Number:
100853-02-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
methyl 6-(6-oxocyclohexen-1-yl)hexanoate
InChI:
InChI=1S/C13H20O3/c1-16-13(15)10-4-2-3-7-11-8-5-6-9-12(11)14/h8H,2-7,9-10H2,1H3
InChI Key:
PERBUWOJBIULNS-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC1=CCCCC1=O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.