200,000+ products from a single source!
sales@angenechem.com
180031-58-7 | 2H-Pyran-6-carboxylic acid, 4-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-oxo-
CAS No: 180031-58-7 Catalog No: AG0021N9 MDL No:
Product Description
Catalog Number:
AG0021N9
Chemical Name:
2H-Pyran-6-carboxylic acid, 4-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-oxo-
CAS Number:
180031-58-7
Molecular Formula:
C14H10O6
Molecular Weight:
274.2256
IUPAC Name:
4-[2-(3,4-dihydroxyphenyl)ethenyl]-6-oxopyran-2-carboxylic acid
InChI:
InChI=1S/C14H10O6/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(14(18)19)20-13(17)7-9/h1-7,15-16H,(H,18,19)
InChI Key:
ZUIOVKAJONGJHT-UHFFFAOYSA-N
SMILES:
O=c1cc(/C=C/c2ccc(c(c2)O)O)cc(o1)C(=O)O
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.228g/mol
Monoisotopic Mass:
274.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.