Name: Name:4-(3,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
Brand: Angene
SKU: AG01BDEQ
Rating: 90 (10 reviews)

4-(3,4-dimethoxyphenyl)-2-oxobut-3-enoic acid

CAS No.:

65152-30-9

Catalog Number:

AG01BDEQ

Molecular Formula:

C12H12O5

Molecular Weight:

236.2207

Catalog Number:

AG01BDEQ

Chemical Name:

4-(3,4-dimethoxyphenyl)-2-oxobut-3-enoic acid

CAS Number:

65152-30-9

Molecular Formula:

C12H12O5

Molecular Weight:

236.2207

MDL Number:

MFCD00034680

IUPAC Name:

4-(3,4-dimethoxyphenyl)-2-oxobut-3-enoic acid

InChI:

InChI=1S/C12H12O5/c1-16-10-6-4-8(7-11(10)17-2)3-5-9(13)12(14)15/h3-7H,1-2H3,(H,14,15)

InChI Key:

SHUJCNYJGLPHKM-UHFFFAOYSA-N

SMILES:

COc1cc(C=CC(=O)C(=O)O)ccc1OC

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.223g/mol

Monoisotopic Mass:

236.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7