200,000+ products from a single source!
sales@angenechem.com
839709-45-4 | 1,2-Benzenedicarboxylic acid, 2,3-dihydroxypropyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS No: 839709-45-4 Catalog No: AG004QJ4 MDL No:
Product Description
Catalog Number:
AG004QJ4
Chemical Name:
1,2-Benzenedicarboxylic acid, 2,3-dihydroxypropyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS Number:
839709-45-4
Molecular Formula:
C17H19O8-
Molecular Weight:
351.3280
IUPAC Name:
2-[4,5-dihydroxy-2-(2-methylprop-2-enoyloxy)pentoxy]carbonylbenzoate
InChI:
InChI=1S/C17H20O8/c1-10(2)16(22)25-12(7-11(19)8-18)9-24-17(23)14-6-4-3-5-13(14)15(20)21/h3-6,11-12,18-19H,1,7-9H2,2H3,(H,20,21)/p-1
InChI Key:
WUISWDXGGARUDB-UHFFFAOYSA-M
SMILES:
OCC(CC(OC(=O)C(=C)C)COC(=O)c1ccccc1C(=O)[O-])O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.108g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.331g/mol
Monoisotopic Mass:
351.108g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.