200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89201-21-8
89201-21-8 | 2-Pentene-1,4-dione, 3-acetyl-1-(4-methylphenyl)-
CAS No: 89201-21-8 Catalog No: AG0045O5 MDL No:
Product Description
Catalog Number:
AG0045O5
Chemical Name:
2-Pentene-1,4-dione, 3-acetyl-1-(4-methylphenyl)-
CAS Number:
89201-21-8
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
IUPAC Name:
3-acetyl-1-(4-methylphenyl)pent-2-ene-1,4-dione
InChI:
InChI=1S/C14H14O3/c1-9-4-6-12(7-5-9)14(17)8-13(10(2)15)11(3)16/h4-8H,1-3H3
InChI Key:
GQNGZCRKNYAHDC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=C(C(=O)C)C(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.