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89445-47-6 | 1H-Indene-2-butanoic acid, 6-bromo-2,3-dihydro-1-oxo-
CAS No: 89445-47-6 Catalog No: AG0042WR MDL No:
Product Description
Catalog Number:
AG0042WR
Chemical Name:
1H-Indene-2-butanoic acid, 6-bromo-2,3-dihydro-1-oxo-
CAS Number:
89445-47-6
Molecular Formula:
C13H13BrO3
Molecular Weight:
297.1445
IUPAC Name:
4-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)butanoic acid
InChI:
InChI=1S/C13H13BrO3/c14-10-5-4-8-6-9(2-1-3-12(15)16)13(17)11(8)7-10/h4-5,7,9H,1-3,6H2,(H,15,16)
InChI Key:
WVZKVOISGKMUNR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1Cc2c(C1=O)cc(cc2)Br
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.148g/mol
Monoisotopic Mass:
296.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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