200,000+ products from a single source!
sales@angenechem.com
835594-16-6 | Benzoic acid, 4-(5-butyl-3-isoxazolyl)-
CAS No: 835594-16-6 Catalog No: AG0058JT MDL No:
Product Description
Catalog Number:
AG0058JT
Chemical Name:
Benzoic acid, 4-(5-butyl-3-isoxazolyl)-
CAS Number:
835594-16-6
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
4-(5-butyl-1,2-oxazol-3-yl)benzoic acid
InChI:
InChI=1S/C14H15NO3/c1-2-3-4-12-9-13(15-18-12)10-5-7-11(8-6-10)14(16)17/h5-9H,2-4H2,1H3,(H,16,17)
InChI Key:
RNBXYUGIXFCRPI-UHFFFAOYSA-N
SMILES:
CCCCc1onc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.