200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89171-66-4
89171-66-4 | 1,4-Hexadien-3-one, 1-hydroxy-
CAS No: 89171-66-4 Catalog No: AG003WET MDL No:
Product Description
Catalog Number:
AG003WET
Chemical Name:
1,4-Hexadien-3-one, 1-hydroxy-
CAS Number:
89171-66-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
1-hydroxyhexa-1,4-dien-3-one
InChI:
InChI=1S/C6H8O2/c1-2-3-6(8)4-5-7/h2-5,7H,1H3
InChI Key:
OUWWRVXPWMZBRI-UHFFFAOYSA-N
SMILES:
CC=CC(=O)C=CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.