200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89201-22-9
89201-22-9 | 2-Pentene-1,4-dione, 3-acetyl-1-(4-methoxyphenyl)-
CAS No: 89201-22-9 Catalog No: AG00457B MDL No:
Product Description
Catalog Number:
AG00457B
Chemical Name:
2-Pentene-1,4-dione, 3-acetyl-1-(4-methoxyphenyl)-
CAS Number:
89201-22-9
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
3-acetyl-1-(4-methoxyphenyl)pent-2-ene-1,4-dione
InChI:
InChI=1S/C14H14O4/c1-9(15)13(10(2)16)8-14(17)11-4-6-12(18-3)7-5-11/h4-8H,1-3H3
InChI Key:
ZWBUTGVRQMZQAV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C(C(=O)C)C(=O)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.