200,000+ products from a single source!
sales@angenechem.com
123377-45-7 | 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-, monobenzoate (9CI)
CAS No: 123377-45-7 Catalog No: AG000KGZ MDL No:
Product Description
Catalog Number:
AG000KGZ
Chemical Name:
4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-, monobenzoate (9CI)
CAS Number:
123377-45-7
Molecular Formula:
C13H12O6
Molecular Weight:
264.2308
IUPAC Name:
benzoic acid;5-hydroxy-2-(hydroxymethyl)pyran-4-one
InChI:
InChI=1S/C7H6O2.C6H6O4/c8-7(9)6-4-2-1-3-5-6;7-2-4-1-5(8)6(9)3-10-4/h1-5H,(H,8,9);1,3,7,9H,2H2
InChI Key:
GKZVNZHQBBLZNU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCc1occ(c(=O)c1)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.233g/mol
Monoisotopic Mass:
264.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.