200,000+ products from a single source!
sales@angenechem.com
116106-71-9 | 2-Butenedioic acid, 2-chloro-, 1-ethyl ester, (2E)-
CAS No: 116106-71-9 Catalog No: AG000BNM MDL No:
Product Description
Catalog Number:
AG000BNM
Chemical Name:
2-Butenedioic acid, 2-chloro-, 1-ethyl ester, (2E)-
CAS Number:
116106-71-9
Molecular Formula:
C6H6ClO4-
Molecular Weight:
177.5624
IUPAC Name:
3-chloro-4-ethoxy-4-oxobut-2-enoate
InChI:
InChI=1S/C6H7ClO4/c1-2-11-6(10)4(7)3-5(8)9/h3H,2H2,1H3,(H,8,9)/p-1
InChI Key:
KAWAKUUNSZSGEW-UHFFFAOYSA-M
SMILES:
CCOC(=O)/C(=C\C(=O)[O-])/Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.995g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.56g/mol
Monoisotopic Mass:
176.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.