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10023-74-2 | Pentanoic acid, ion(1-)
CAS No: 10023-74-2 Catalog No: AG0001B3 MDL No:
Product Description
Catalog Number:
AG0001B3
Chemical Name:
Pentanoic acid, ion(1-)
CAS Number:
10023-74-2
Molecular Formula:
C5H9O2-
Molecular Weight:
101.1238
IUPAC Name:
pentanoate
InChI:
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
InChI Key:
NQPDZGIKBAWPEJ-UHFFFAOYSA-M
SMILES:
CCCCC(=O)[O-]
Properties
Complexity:
53.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.06g/mol
Formal Charge:
-1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.125g/mol
Monoisotopic Mass:
101.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase inhibitors. Inhibition of the beta-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with aliphatic and aromatic carboxylates. | Bioorganic & medicinal chemistry 20090401 |
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