200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 998-83-4
998-83-4 | 1,5-Hexadien-3-one, 5-methyl-
CAS No: 998-83-4 Catalog No: AG003W6M MDL No:MFCD22054106
Product Description
Catalog Number:
AG003W6M
Chemical Name:
1,5-Hexadien-3-one, 5-methyl-
CAS Number:
998-83-4
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
MDL Number:
MFCD22054106
IUPAC Name:
5-methylhexa-1,5-dien-3-one
InChI:
InChI=1S/C7H10O/c1-4-7(8)5-6(2)3/h4H,1-2,5H2,3H3
InChI Key:
WIUIPOJIZUXWRR-UHFFFAOYSA-N
SMILES:
C=CC(=O)CC(=C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.