200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 189336-56-9
189336-56-9 | Cyclohexanecarboxaldehyde, 2-(3-oxobutyl)-
CAS No: 189336-56-9 Catalog No: AG002IC8 MDL No:
Product Description
Catalog Number:
AG002IC8
Chemical Name:
Cyclohexanecarboxaldehyde, 2-(3-oxobutyl)-
CAS Number:
189336-56-9
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2-(3-oxobutyl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H18O2/c1-9(13)6-7-10-4-2-3-5-11(10)8-12/h8,10-11H,2-7H2,1H3
InChI Key:
CYSIIESHPPQIBU-UHFFFAOYSA-N
SMILES:
O=CC1CCCCC1CCC(=O)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.