200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 101499-91-6
101499-91-6 | Benzenepentanoic acid, 3,4,5-trimethoxy-β-methyl-δ-oxo-
CAS No: 101499-91-6 Catalog No: AG0004MM MDL No:
Product Description
Catalog Number:
AG0004MM
Chemical Name:
Benzenepentanoic acid, 3,4,5-trimethoxy-β-methyl-δ-oxo-
CAS Number:
101499-91-6
Molecular Formula:
C15H20O6
Molecular Weight:
296.3157
IUPAC Name:
3-methyl-5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid
InChI:
InChI=1S/C15H20O6/c1-9(6-14(17)18)5-11(16)10-7-12(19-2)15(21-4)13(8-10)20-3/h7-9H,5-6H2,1-4H3,(H,17,18)
InChI Key:
SLJQUNAKJDHQTQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)CC(CC(=O)O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.319g/mol
Monoisotopic Mass:
296.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.