200,000+ products from a single source!
sales@angenechem.com
86879-37-0 | 3-Carboxy-5-propyl-2-furanpropionic acid
CAS No: 86879-37-0 Catalog No: AG004IC3 MDL No:
Product Description
Catalog Number:
AG004IC3
Chemical Name:
3-Carboxy-5-propyl-2-furanpropionic acid
CAS Number:
86879-37-0
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
2-(2-carboxyethyl)-5-propylfuran-3-carboxylic acid
InChI:
InChI=1S/C11H14O5/c1-2-3-7-6-8(11(14)15)9(16-7)4-5-10(12)13/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
JSRAFVZTHDHHQY-UHFFFAOYSA-N
SMILES:
CCCc1oc(c(c1)C(=O)O)CCC(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.