200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 189027-06-3
189027-06-3 | 4-Pentyn-1-one, 1-phenyl-2-(2-propyn-1-yl)-
CAS No: 189027-06-3 Catalog No: AG002HPP MDL No:
Product Description
Catalog Number:
AG002HPP
Chemical Name:
4-Pentyn-1-one, 1-phenyl-2-(2-propyn-1-yl)-
CAS Number:
189027-06-3
Molecular Formula:
C14H12O
Molecular Weight:
196.2445
IUPAC Name:
1-phenyl-2-prop-2-ynylpent-4-yn-1-one
InChI:
InChI=1S/C14H12O/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h1-2,5-7,10-12H,8-9H2
InChI Key:
YDOBLKVNBKIKPT-UHFFFAOYSA-N
SMILES:
C#CCC(C(=O)c1ccccc1)CC#C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.249g/mol
Monoisotopic Mass:
196.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.