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168135-66-8 | Benzenepentanoic acid, 3,4-dichloro-δ-oxo-
CAS No: 168135-66-8 Catalog No: AG001XUD MDL No:MFCD02260868
Product Description
Catalog Number:
AG001XUD
Chemical Name:
Benzenepentanoic acid, 3,4-dichloro-δ-oxo-
CAS Number:
168135-66-8
Molecular Formula:
C11H10Cl2O3
Molecular Weight:
261.1013
MDL Number:
MFCD02260868
IUPAC Name:
5-(3,4-dichlorophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H10Cl2O3/c12-8-5-4-7(6-9(8)13)10(14)2-1-3-11(15)16/h4-6H,1-3H2,(H,15,16)
InChI Key:
XDNXUPLVNCSNBM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.098g/mol
Monoisotopic Mass:
260.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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