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82129-59-7 | 2,4-Pentanedione, 1-(3-chlorophenyl)-
CAS No: 82129-59-7 Catalog No: AG004W6F MDL No:
Product Description
Catalog Number:
AG004W6F
Chemical Name:
2,4-Pentanedione, 1-(3-chlorophenyl)-
CAS Number:
82129-59-7
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
1-(3-chlorophenyl)pentane-2,4-dione
InChI:
InChI=1S/C11H11ClO2/c1-8(13)5-11(14)7-9-3-2-4-10(12)6-9/h2-4,6H,5,7H2,1H3
InChI Key:
NNPRXERKWQIVEG-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc(c1)Cl)CC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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