Name: Name:2-Propenoic acid, 3-(3-thienyl)-, (2E)-
Brand: Angene
SKU: AG00085C
Rating: 90 (10 reviews)

2-Propenoic acid, 3-(3-thienyl)-, (2E)-

CAS No.:

102696-71-9

Catalog Number:

AG00085C

Molecular Formula:

C7H6O2S

Molecular Weight:

154.1863

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Product Description

Catalog Number:

AG00085C

Chemical Name:

2-Propenoic acid, 3-(3-thienyl)-, (2E)-

CAS Number:

102696-71-9

Molecular Formula:

C7H6O2S

Molecular Weight:

154.1863

MDL Number:

MFCD00014535

IUPAC Name:

(E)-3-thiophen-3-ylprop-2-enoic acid

InChI:

InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+

InChI Key:

VYRYYUKILKRGDN-OWOJBTEDSA-N

SMILES:

OC(=O)/C=C/c1cscc1

EC Number:

214-800-4

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.183g/mol

Monoisotopic Mass:

154.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601

Properties