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168645-77-0 | 4-Pentene-1,3-dione, 5-(4-chlorophenyl)-1-(2-hydroxyphenyl)-
CAS No: 168645-77-0 Catalog No: AG001Y7B MDL No:
Product Description
Catalog Number:
AG001Y7B
Chemical Name:
4-Pentene-1,3-dione, 5-(4-chlorophenyl)-1-(2-hydroxyphenyl)-
CAS Number:
168645-77-0
Molecular Formula:
C17H13ClO3
Molecular Weight:
300.7363
IUPAC Name:
5-(4-chlorophenyl)-1-(2-hydroxyphenyl)pent-4-ene-1,3-dione
InChI:
InChI=1S/C17H13ClO3/c18-13-8-5-12(6-9-13)7-10-14(19)11-17(21)15-3-1-2-4-16(15)20/h1-10,20H,11H2
InChI Key:
JOBSYZZCKLHOBZ-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1O)C=Cc1ccc(cc1)Cl
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.738g/mol
Monoisotopic Mass:
300.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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