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82884-42-2 | Hexanoic acid, 2-bromo-5,5-dimethyl-4-oxo-, methyl ester
CAS No: 82884-42-2 Catalog No: AG0055KV MDL No:
Product Description
Catalog Number:
AG0055KV
Chemical Name:
Hexanoic acid, 2-bromo-5,5-dimethyl-4-oxo-, methyl ester
CAS Number:
82884-42-2
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
IUPAC Name:
methyl 2-bromo-5,5-dimethyl-4-oxohexanoate
InChI:
InChI=1S/C9H15BrO3/c1-9(2,3)7(11)5-6(10)8(12)13-4/h6H,5H2,1-4H3
InChI Key:
XWVHFUINBNZOMY-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(=O)C(C)(C)C)Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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