200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13838-59-0
13838-59-0 | 2H-Pyran-2,4(3H)-dione, 3-acetyl-5-benzoyl-6-methyl-
CAS No: 13838-59-0 Catalog No: AG0018OU MDL No:
Product Description
Catalog Number:
AG0018OU
Chemical Name:
2H-Pyran-2,4(3H)-dione, 3-acetyl-5-benzoyl-6-methyl-
CAS Number:
13838-59-0
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
3-acetyl-5-benzoyl-6-methylpyran-2,4-dione
InChI:
InChI=1S/C15H12O5/c1-8(16)11-14(18)12(9(2)20-15(11)19)13(17)10-6-4-3-5-7-10/h3-7,11H,1-2H3
InChI Key:
QELXRILISOJPER-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(=O)OC(=C(C1=O)C(=O)c1ccccc1)C
NSC Number:
128214
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.