Name: Name:2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Brand: Angene
SKU: AG01EM4K
Rating: 90 (10 reviews)

2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

CAS No.:

72791-61-8

Catalog Number:

AG01EM4K

Molecular Formula:

C11H9NO4

Molecular Weight:

219.1935

Catalog Number:

AG01EM4K

Chemical Name:

2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

CAS Number:

72791-61-8

Molecular Formula:

C11H9NO4

Molecular Weight:

219.1935

MDL Number:

MFCD01916488

IUPAC Name:

2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

InChI:

InChI=1S/C11H9NO4/c1-16-10-5-7(2-3-9(10)13)4-8(6-12)11(14)15/h2-5,13H,1H3,(H,14,15)

InChI Key:

VBHMEVXDNSXEME-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1ccc(c(c1)OC)O)C(=O)O

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.196g/mol

Monoisotopic Mass:

219.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7