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133097-99-1

133097-99-1 | 1,2-Cyclobutanedicarboxylic acid, 3,4-bis(4-hydroxyphenyl)-

CAS No: 133097-99-1 Catalog No: AG001498 MDL No:

Product Description

Catalog Number:
AG001498
Chemical Name:
1,2-Cyclobutanedicarboxylic acid, 3,4-bis(4-hydroxyphenyl)-
CAS Number:
133097-99-1
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylic acid
InChI:
InChI=1S/C18H16O6/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)16(18(23)24)15(13)17(21)22/h1-8,13-16,19-20H,(H,21,22)(H,23,24)
InChI Key:
TTYYRPWJVRZDEQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)C(C1c1ccc(cc1)O)c1ccc(cc1)O

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.095g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
328.32g/mol
Monoisotopic Mass:
328.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Bioactive sucrose esters from Bidens parviflora. Phytochemistry 20030301

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