200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13061-80-8
13061-80-8 | 4-Hexen-1-yn-3-one
CAS No: 13061-80-8 Catalog No: AG000UPI MDL No:
Product Description
Catalog Number:
AG000UPI
Chemical Name:
4-Hexen-1-yn-3-one
CAS Number:
13061-80-8
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
IUPAC Name:
(E)-hex-4-en-1-yn-3-one
InChI:
InChI=1S/C6H6O/c1-3-5-6(7)4-2/h2-3,5H,1H3/b5-3+
InChI Key:
UCQNRUHGBZEFQY-HWKANZROSA-N
SMILES:
CC=CC(=O)C#C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.