200,000+ products from a single source!
sales@angenechem.com
462068-52-6 | 5-Isobutyl-2-methyl-furan-3-carboxylic acid
CAS No: 462068-52-6 Catalog No: AG01FB3K MDL No:
Product Description
Catalog Number:
AG01FB3K
Chemical Name:
5-Isobutyl-2-methyl-furan-3-carboxylic acid
CAS Number:
462068-52-6
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-6(2)4-8-5-9(10(11)12)7(3)13-8/h5-6H,4H2,1-3H3,(H,11,12)
InChI Key:
OVBDZKIFGWMIEV-UHFFFAOYSA-N
SMILES:
CC(Cc1oc(c(c1)C(=O)O)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.