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89445-48-7 | 1H-Indene-2-pentanoic acid, 6-bromo-2,3-dihydro-1-oxo-
CAS No: 89445-48-7 Catalog No: AG0042WQ MDL No:
Product Description
Catalog Number:
AG0042WQ
Chemical Name:
1H-Indene-2-pentanoic acid, 6-bromo-2,3-dihydro-1-oxo-
CAS Number:
89445-48-7
Molecular Formula:
C14H15BrO3
Molecular Weight:
311.1711
IUPAC Name:
5-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid
InChI:
InChI=1S/C14H15BrO3/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:
RKUTWGIZYGDPPF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1Cc2c(C1=O)cc(cc2)Br
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.175g/mol
Monoisotopic Mass:
310.02g/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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