200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87921-68-4
87921-68-4 | Heptanal, 2-butyl-6-oxo-
CAS No: 87921-68-4 Catalog No: AG004HK5 MDL No:
Product Description
Catalog Number:
AG004HK5
Chemical Name:
Heptanal, 2-butyl-6-oxo-
CAS Number:
87921-68-4
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
2-butyl-6-oxoheptanal
InChI:
InChI=1S/C11H20O2/c1-3-4-7-11(9-12)8-5-6-10(2)13/h9,11H,3-8H2,1-2H3
InChI Key:
UFYQQXGLARHIPY-UHFFFAOYSA-N
SMILES:
CCCCC(CCCC(=O)C)C=O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.