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88952-38-9 | 1,3-Propanedione, 1-(5-chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)-
CAS No: 88952-38-9 Catalog No: AG00486O MDL No:
Product Description
Catalog Number:
AG00486O
Chemical Name:
1,3-Propanedione, 1-(5-chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)-
CAS Number:
88952-38-9
Molecular Formula:
C16H13ClO4
Molecular Weight:
304.7250
IUPAC Name:
1-(5-chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
InChI:
InChI=1S/C16H13ClO4/c1-21-12-4-2-3-10(7-12)15(19)9-16(20)13-8-11(17)5-6-14(13)18/h2-8,18H,9H2,1H3
InChI Key:
JOYDJDQXJPCYHL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)CC(=O)c1cc(Cl)ccc1O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.726g/mol
Monoisotopic Mass:
304.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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