Name: Name:(Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid
Brand: Angene
SKU: AG00IM3V
Rating: 90 (10 reviews)

(Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid

CAS No.:

1415565-98-8

Catalog Number:

AG00IM3V

Molecular Formula:

C11H11NO4

Molecular Weight:

221.2093

Catalog Number:

AG00IM3V

Chemical Name:

(Z)-3-(methoxycarbonyl)-4-(pyridin-3-yl)but-3-enoic acid

CAS Number:

1415565-98-8

Molecular Formula:

C11H11NO4

Molecular Weight:

221.2093

MDL Number:

MFCD18643423

IUPAC Name:

3-methoxycarbonyl-4-pyridin-3-ylbut-3-enoic acid

InChI:

InChI=1S/C11H11NO4/c1-16-11(15)9(6-10(13)14)5-8-3-2-4-12-7-8/h2-5,7H,6H2,1H3,(H,13,14)

InChI Key:

FZOMEEPZIQGXTL-UHFFFAOYSA-N

SMILES:

COC(=O)/C(=C\c1cccnc1)/CC(=O)O

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.212g/mol

Monoisotopic Mass:

221.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6