Name: Name:4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid
Brand: Angene
SKU: AG01A4ZK
Rating: 90 (10 reviews)

4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid

CAS No.:

15572-03-9

Catalog Number:

AG01A4ZK

Molecular Formula:

C11H11ClO4

Molecular Weight:

242.6556

Catalog Number:

AG01A4ZK

Chemical Name:

4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid

CAS Number:

15572-03-9

Molecular Formula:

C11H11ClO4

Molecular Weight:

242.6556

MDL Number:

MFCD12139104

IUPAC Name:

4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid

InChI:

InChI=1S/C11H11ClO4/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

InChI Key:

HBKJAIYXCUJBOC-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)Cl)C(=O)CCC(=O)O

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.655g/mol

Monoisotopic Mass:

242.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6