Name: Name:4-(5-bromo-2-methoxy-4-methylphenyl)-4-oxobutanoic acid
Brand: Angene
SKU: AG01DVD0
Rating: 90 (10 reviews)

4-(5-bromo-2-methoxy-4-methylphenyl)-4-oxobutanoic acid

CAS No.:

1481776-23-1

Catalog Number:

AG01DVD0

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

Catalog Number:

AG01DVD0

Chemical Name:

4-(5-bromo-2-methoxy-4-methylphenyl)-4-oxobutanoic acid

CAS Number:

1481776-23-1

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

MDL Number:

MFCD20806297

IUPAC Name:

4-(5-bromo-2-methoxy-4-methylphenyl)-4-oxobutanoic acid

InChI:

InChI=1S/C12H13BrO4/c1-7-5-11(17-2)8(6-9(7)13)10(14)3-4-12(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)

InChI Key:

ZHIRTDWNIYCATB-UHFFFAOYSA-N

SMILES:

COc1cc(C)c(cc1C(=O)CCC(=O)O)Br

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.136g/mol

Monoisotopic Mass:

300g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1