200,000+ products from a single source!
sales@angenechem.com
126572-78-9 | 2-Butenoic acid, 2,4,4-trichloro-3-(hydroxymethyl)-, (2Z)-
CAS No: 126572-78-9 Catalog No: AG000SY0 MDL No:
Product Description
Catalog Number:
AG000SY0
Chemical Name:
2-Butenoic acid, 2,4,4-trichloro-3-(hydroxymethyl)-, (2Z)-
CAS Number:
126572-78-9
Molecular Formula:
C5H5Cl3O3
Molecular Weight:
219.4504
IUPAC Name:
2,4,4-trichloro-3-(hydroxymethyl)but-2-enoic acid
InChI:
InChI=1S/C5H5Cl3O3/c6-3(5(10)11)2(1-9)4(7)8/h4,9H,1H2,(H,10,11)
InChI Key:
SHGAIAGWDXHJHG-UHFFFAOYSA-N
SMILES:
OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.442g/mol
Monoisotopic Mass:
217.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^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.