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88260-33-7 | Octanoic acid, 3,8-dibromo-2-oxo-
CAS No: 88260-33-7 Catalog No: AG004C0E MDL No:
Product Description
Catalog Number:
AG004C0E
Chemical Name:
Octanoic acid, 3,8-dibromo-2-oxo-
CAS Number:
88260-33-7
Molecular Formula:
C8H12Br2O3
Molecular Weight:
315.9871
IUPAC Name:
3,8-dibromo-2-oxooctanoic acid
InChI:
InChI=1S/C8H12Br2O3/c9-5-3-1-2-4-6(10)7(11)8(12)13/h6H,1-5H2,(H,12,13)
InChI Key:
CFVNRAPYSDOWMF-UHFFFAOYSA-N
SMILES:
BrCCCCCC(C(=O)C(=O)O)Br
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.913g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.989g/mol
Monoisotopic Mass:
313.915g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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