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2067-33-6 | Pentanoic acid, 5-bromo-
CAS No: 2067-33-6 Catalog No: AG002IN8 MDL No:MFCD00004414
Product Description
Catalog Number:
AG002IN8
Chemical Name:
Pentanoic acid, 5-bromo-
CAS Number:
2067-33-6
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD00004414
IUPAC Name:
5-bromopentanoic acid
InChI:
InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChI Key:
WNXNUPJZWYOKMW-UHFFFAOYSA-N
SMILES:
BrCCCCC(=O)O
EC Number:
218-185-3
NSC Number:
53507
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Water-soluble nanodiamond. | Langmuir : the ACS journal of surfaces and colloids 20120320 |
| Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones. | Bioorganic & medicinal chemistry 20110101 |
| [Synthesis of cholesterol-containing cationic amphiphiles with heterocyclic bases]. | Bioorganicheskaia khimiia 20010101 |
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