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101181-87-7 | Nonanoic acid, 9-bromo-2-oxo-
CAS No: 101181-87-7 Catalog No: AG0003WJ MDL No:
Product Description
Catalog Number:
AG0003WJ
Chemical Name:
Nonanoic acid, 9-bromo-2-oxo-
CAS Number:
101181-87-7
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
IUPAC Name:
9-bromo-2-oxononanoic acid
InChI:
InChI=1S/C9H15BrO3/c10-7-5-3-1-2-4-6-8(11)9(12)13/h1-7H2,(H,12,13)
InChI Key:
URHYALKKCPXTSY-UHFFFAOYSA-N
SMILES:
BrCCCCCCCC(=O)C(=O)O
Properties
Complexity:
168
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:
1
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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