Name: Name:(Z)-4-(3,4-Dimethoxyphenylamino)-4-oxobut-2-enoic acid
Brand: Angene
SKU: AG00I8LD
Rating: 90 (10 reviews)

(Z)-4-(3,4-Dimethoxyphenylamino)-4-oxobut-2-enoic acid

CAS No.:

468747-44-6

Catalog Number:

AG00I8LD

Molecular Formula:

C12H13NO5

Molecular Weight:

251.2353

Catalog Number:

AG00I8LD

Chemical Name:

(Z)-4-(3,4-Dimethoxyphenylamino)-4-oxobut-2-enoic acid

CAS Number:

468747-44-6

Molecular Formula:

C12H13NO5

Molecular Weight:

251.2353

MDL Number:

MFCD01185849

IUPAC Name:

(Z)-4-(3,4-dimethoxyanilino)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C12H13NO5/c1-17-9-4-3-8(7-10(9)18-2)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b6-5-

InChI Key:

OQWBUKRQHAVFLC-WAYWQWQTSA-N

SMILES:

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

NSC Number:

333204

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.238g/mol

Monoisotopic Mass:

251.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8