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89445-43-2 | 1H-Indene-2-pentanoic acid, 6-chloro-2,3-dihydro-1-oxo-
CAS No: 89445-43-2 Catalog No: AG0044IK MDL No:
Product Description
Catalog Number:
AG0044IK
Chemical Name:
1H-Indene-2-pentanoic acid, 6-chloro-2,3-dihydro-1-oxo-
CAS Number:
89445-43-2
Molecular Formula:
C14H15ClO3
Molecular Weight:
266.7201
IUPAC Name:
5-(5-chloro-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid
InChI:
InChI=1S/C14H15ClO3/c15-11-6-5-9-7-10(14(18)12(9)8-11)3-1-2-4-13(16)17/h5-6,8,10H,1-4,7H2,(H,16,17)
InChI Key:
XSIGCDUWQHAGHK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1Cc2c(C1=O)cc(cc2)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.721g/mol
Monoisotopic Mass:
266.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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