200,000+ products from a single source!
sales@angenechem.com
81008-08-4 | 4-Chloro-alpha-hydroxy-gamma-oxobenzenebutanoic acid
CAS No: 81008-08-4 Catalog No: AG0050H5 MDL No:
Product Description
Catalog Number:
AG0050H5
Chemical Name:
4-Chloro-alpha-hydroxy-gamma-oxobenzenebutanoic acid
CAS Number:
81008-08-4
Molecular Formula:
C10H9ClO4
Molecular Weight:
228.6291
IUPAC Name:
4-(4-chlorophenyl)-2-hydroxy-4-oxobutanoic acid
InChI:
InChI=1S/C10H9ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChI Key:
BUNUMHDTNKWXKR-UHFFFAOYSA-N
SMILES:
OC(C(=O)O)CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.628g/mol
Monoisotopic Mass:
228.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.