Name: Name:(2E)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
Brand: Angene
SKU: AG01EM5E
Rating: 90 (10 reviews)

(2E)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

CAS No.:

519137-44-1

Catalog Number:

AG01EM5E

Molecular Formula:

C16H12N2O2S

Molecular Weight:

296.3437

Catalog Number:

AG01EM5E

Chemical Name:

(2E)-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

CAS Number:

519137-44-1

Molecular Formula:

C16H12N2O2S

Molecular Weight:

296.3437

MDL Number:

MFCD02633548

IUPAC Name:

3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid

InChI:

InChI=1S/C16H12N2O2S/c19-15(20)9-8-12-11-18(13-5-2-1-3-6-13)17-16(12)14-7-4-10-21-14/h1-11H,(H,19,20)

InChI Key:

JYTTUZGNGPOHCQ-UHFFFAOYSA-N

SMILES:

OC(=O)/C=C/c1cn(nc1c1cccs1)c1ccccc1

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.344g/mol

Monoisotopic Mass:

296.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2