200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1417510-65-6
1417510-65-6 | 4-(3-Chloro-2-methylphenyl)-4-oxobutyric acid
CAS No: 1417510-65-6 Catalog No: AG01FACP MDL No:
Product Description
Catalog Number:
AG01FACP
Chemical Name:
4-(3-Chloro-2-methylphenyl)-4-oxobutyric acid
CAS Number:
1417510-65-6
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
4-(3-chloro-2-methylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C11H11ClO3/c1-7-8(3-2-4-9(7)12)10(13)5-6-11(14)15/h2-4H,5-6H2,1H3,(H,14,15)
InChI Key:
ANBVEZBUVGQORU-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1Cl)C(=O)CCC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.