Name: Name:2-Butenoic acid, 4-(4-ethoxyphenyl)-4-oxo-, (2E)-
Brand: Angene
SKU: AG002YU7
Rating: 90 (10 reviews)

2-Butenoic acid, 4-(4-ethoxyphenyl)-4-oxo-, (2E)-

CAS No.:

29582-31-8

Catalog Number:

AG002YU7

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

Catalog Number:

AG002YU7

Chemical Name:

2-Butenoic acid, 4-(4-ethoxyphenyl)-4-oxo-, (2E)-

CAS Number:

29582-31-8

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

MDL Number:

MFCD00075337

IUPAC Name:

(E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C12H12O4/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-8H,2H2,1H3,(H,14,15)/b8-7+

InChI Key:

WKIKNOMECIZQHQ-BQYQJAHWSA-N

SMILES:

CCOc1ccc(cc1)C(=O)/C=C/C(=O)O

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.224g/mol

Monoisotopic Mass:

220.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9