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144344-86-5 | 2,4-Pentanedione, 3-[[4-(acetyloxy)phenyl]methyl]-3-methyl-
CAS No: 144344-86-5 Catalog No: AG001JDN MDL No:
Product Description
Catalog Number:
AG001JDN
Chemical Name:
2,4-Pentanedione, 3-[[4-(acetyloxy)phenyl]methyl]-3-methyl-
CAS Number:
144344-86-5
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
[4-(2-acetyl-2-methyl-3-oxobutyl)phenyl] acetate
InChI:
InChI=1S/C15H18O4/c1-10(16)15(4,11(2)17)9-13-5-7-14(8-6-13)19-12(3)18/h5-8H,9H2,1-4H3
InChI Key:
IHDQBUNCPGEKIP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)CC(C(=O)C)(C(=O)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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