200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13318-13-3
13318-13-3 | Ethanedioic acid, 1-butyl ester
CAS No: 13318-13-3 Catalog No: AG0014DQ MDL No:
Product Description
Catalog Number:
AG0014DQ
Chemical Name:
Ethanedioic acid, 1-butyl ester
CAS Number:
13318-13-3
Molecular Formula:
C6H9O4-
Molecular Weight:
145.1333
IUPAC Name:
2-butoxy-2-oxoacetate
InChI:
InChI=1S/C6H10O4/c1-2-3-4-10-6(9)5(7)8/h2-4H2,1H3,(H,7,8)/p-1
InChI Key:
VJKHMZIJJRHRTE-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)OCCCC
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.05g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.134g/mol
Monoisotopic Mass:
145.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.