200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 29178-96-9
29178-96-9 | 3,5-Heptadien-2-one, 6-methyl-, (3Z)-
CAS No: 29178-96-9 Catalog No: AG002XLJ MDL No:
Product Description
Catalog Number:
AG002XLJ
Chemical Name:
3,5-Heptadien-2-one, 6-methyl-, (3Z)-
CAS Number:
29178-96-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
6-methylhepta-3,5-dien-2-one
InChI:
InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3
InChI Key:
KSKXSFZGARKWOW-UHFFFAOYSA-N
SMILES:
CC(=C/C=C\C(=O)C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.