200,000+ products from a single source!
sales@angenechem.com
133098-01-8 | 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-
CAS No: 133098-01-8 Catalog No: AG001497 MDL No:
Product Description
Catalog Number:
AG001497
Chemical Name:
1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-
CAS Number:
133098-01-8
Molecular Formula:
C20H20O8
Molecular Weight:
388.3680
IUPAC Name:
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
InChI:
InChI=1S/C20H20O8/c1-27-13-7-9(3-5-11(13)21)15-17(19(23)24)16(18(15)20(25)26)10-4-6-12(22)14(8-10)28-2/h3-8,15-18,21-22H,1-2H3,(H,23,24)(H,25,26)
InChI Key:
UHCWQMZMXZKYAU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C1C(C(=O)O)C(C1C(=O)O)c1ccc(c(c1)OC)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.372g/mol
Monoisotopic Mass:
388.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.